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

C19H43N7 — CID 176528735

IUPAC1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NCCNCCCN=C(NC(C)C)NC(C)C)NC(C)C
InChIInChI=1S/C19H43N7/c1-14(2)23-18(24-15(3)4)21-11-9-10-20-12-13-22-19(25-16(5)6)26-17(7)8/h14-17,20H,9-13H2,1-8H3,(H2,21,23,24)(H2,22,25,26)
InChIKeyCDEZJPXPFMRXAX-UHFFFAOYSA-N
MW369.60 g/mol
LogP1.67
Rot. Bonds11

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

1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine (PubChem CID 176528735) has the molecular formula C19H43N7 and a molecular weight of 369.60 g/mol. Its IUPAC name is 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine
PubChem CID176528735
Molecular FormulaC19H43N7
Molecular Weight369.60 g/mol
Exact Mass369.36
IUPAC Name1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NCCNCCCN=C(NC(C)C)NC(C)C)NC(C)C
InChIInChI=1S/C19H43N7/c1-14(2)23-18(24-15(3)4)21-11-9-10-20-12-13-22-19(25-16(5)6)26-17(7)8/h14-17,20H,9-13H2,1-8H3,(H2,21,23,24)(H2,22,25,26)
InChIKeyCDEZJPXPFMRXAX-UHFFFAOYSA-N
XLogP1.67
TPSA84.87 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 51.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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-[2-[2-[bis(propan-2-ylamino)methylideneamino]ethylamino]ethylamino]ethyl]-2,3-di(propan-2-yl)guanidine
CID 176534181
2-[3-(3-aminopropylamino)propyl]-1,3-di(propan-2-yl)guanidine;formic acid
CID 71583012
1,2,3-tri(propan-2-yl)guanidine
CID 547015
1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine
CID 71511720
1-[N'-[3-(dimethylamino)propyl]-N-[N,N'-di(propan-2-yl)carbamimidoyl]carbamimidoyl]-2,3-di(propan-2-yl)guanidine
CID 71529808
1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine
CID 176521189
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine
CID 111127023
2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111127393
1-(dimethylamino)-2,3-di(propan-2-yl)guanidine
CID 102263494
1-amino-2-(4-methylsulfanylbutyl)-3-propan-2-ylguanidine
CID 104888519
1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid
CID 71530090

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
The IUPAC name of 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine (CID 176528735) is 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine is CC(C)/N=C(\NCCNCCCN=C(NC(C)C)NC(C)C)NC(C)C.
What is the InChIKey of 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
The InChIKey is CDEZJPXPFMRXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N7/c1-14(2)23-18(24-15(3)4)21-11-9-10-20-12-13-22-19(25-16(5)6)26-17(7)8/h14-17,20H,9-13H2,1-8H3,(H2,21,23,24)(H2,22,25,26).
What are the key properties of 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine?
1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine has a molecular weight of 369.60 g/mol, XLogP of 1.67, 11 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[bis(propan-2-ylamino)methylideneamino]propylamino]ethyl]-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 176528735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).