1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine

C20H46N8 — CID 176534181

IUPAC1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NCCNCCNCCN=C(NC(C)C)NC(C)C)NC(C)C
InChIInChI=1S/C20H46N8/c1-15(2)25-19(26-16(3)4)23-13-11-21-9-10-22-12-14-24-20(27-17(5)6)28-18(7)8/h15-18,21-22H,9-14H2,1-8H3,(H2,23,25,26)(H2,24,27,28)
InChIKeyZRWFIKRYHVNHPB-UHFFFAOYSA-N
MW398.64 g/mol
LogP0.87
Rot. Bonds13

About 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine

1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine (PubChem CID 176534181) has the molecular formula C20H46N8 and a molecular weight of 398.64 g/mol. Its IUPAC name is 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine
PubChem CID176534181
Molecular FormulaC20H46N8
Molecular Weight398.64 g/mol
Exact Mass398.38
IUPAC Name1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NCCNCCNCCN=C(NC(C)C)NC(C)C)NC(C)C
InChIInChI=1S/C20H46N8/c1-15(2)25-19(26-16(3)4)23-13-11-21-9-10-22-12-14-24-20(27-17(5)6)28-18(7)8/h15-18,21-22H,9-14H2,1-8H3,(H2,23,25,26)(H2,24,27,28)
InChIKeyZRWFIKRYHVNHPB-UHFFFAOYSA-N
XLogP0.87
TPSA96.90 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 50.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine
CID 176539450
1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine
CID 176528735
1,2,3-tri(propan-2-yl)guanidine
CID 547015
1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine
CID 176521189
1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine
CID 71511720
2-[3-(3-aminopropylamino)propyl]-1,3-di(propan-2-yl)guanidine;formic acid
CID 71583012
1-[N'-[3-(dimethylamino)propyl]-N-[N,N'-di(propan-2-yl)carbamimidoyl]carbamimidoyl]-2,3-di(propan-2-yl)guanidine
CID 71529808
1-(dimethylamino)-2,3-di(propan-2-yl)guanidine
CID 102263494
1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid
CID 71530090
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine
CID 111127023
N,N'-di(propan-2-yl)ethanimidamide
CID 11205611
1-phenyl-2,3-di(propan-2-yl)guanidine
CID 11226187

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
The IUPAC name of 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine (CID 176534181) is 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine is CC(C)/N=C(\NCCNCCNCCN=C(NC(C)C)NC(C)C)NC(C)C.
What is the InChIKey of 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
The InChIKey is ZRWFIKRYHVNHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N8/c1-15(2)25-19(26-16(3)4)23-13-11-21-9-10-22-12-14-24-20(27-17(5)6)28-18(7)8/h15-18,21-22H,9-14H2,1-8H3,(H2,23,25,26)(H2,24,27,28).
What are the key properties of 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine has a molecular weight of 398.64 g/mol, XLogP of 0.87, 13 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 176534181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).