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

C19H42N6 — CID 176521189

IUPAC1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine
SMILESCCC(CCN/C(=N/C(C)C)NC(C)C)N=C(NC(C)C)NC(C)C
InChIInChI=1S/C19H42N6/c1-10-17(25-19(23-15(6)7)24-16(8)9)11-12-20-18(21-13(2)3)22-14(4)5/h13-17H,10-12H2,1-9H3,(H2,20,21,22)(H2,23,24,25)
InChIKeyAUOHBPGEVCOYIZ-UHFFFAOYSA-N
MW354.59 g/mol
LogP2.86
Rot. Bonds9

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

1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine (PubChem CID 176521189) has the molecular formula C19H42N6 and a molecular weight of 354.59 g/mol. Its IUPAC name is 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine
PubChem CID176521189
Molecular FormulaC19H42N6
Molecular Weight354.59 g/mol
Exact Mass354.35
IUPAC Name1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine
SMILESCCC(CCN/C(=N/C(C)C)NC(C)C)N=C(NC(C)C)NC(C)C
InChIInChI=1S/C19H42N6/c1-10-17(25-19(23-15(6)7)24-16(8)9)11-12-20-18(21-13(2)3)22-14(4)5/h13-17H,10-12H2,1-9H3,(H2,20,21,22)(H2,23,24,25)
InChIKeyAUOHBPGEVCOYIZ-UHFFFAOYSA-N
XLogP2.86
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[12-[(N-methylcarbamimidoyl)amino]dodecyl]guanidine
CID 86579879
1-(4-Aminobutyl)-2-octadecylguanidine
CID 172443067
1-(4-Aminobutyl)-2-dodecylguanidine
CID 172466905
1-(4-Aminobutyl)-2-hexadecylguanidine
CID 172466981
2-[3-[Bis(propan-2-ylamino)methylideneamino]propyl]-1,3-di(propan-2-yl)guanidine
CID 20762627
1-Ethyl-3,3-dimethylamino-propyl-carbodiimide
CID 87059636
2-Octyl-1,3-di(propan-2-yl)guanidine
CID 101420419
1-[3-[Bis(propan-2-ylamino)methylideneamino]propyl]-2,3-di(propan-2-yl)guanidine
CID 176525464
2-Dodecyl-1,3-di(propan-2-yl)guanidine
CID 10757443
2-[3-(Diaminomethylideneamino)propyl]-1-dodecylguanidine
CID 91151127
1,6-bis-(N',N''-diethylguanidino)hexane dihydrochloride
CID 129869814
N,N'-bis(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)hexane-1,6-diamine
CID 3068113

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine?
The IUPAC name of 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine (CID 176521189) is 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine is CCC(CCN/C(=N/C(C)C)NC(C)C)N=C(NC(C)C)NC(C)C.
What is the InChIKey of 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine?
The InChIKey is AUOHBPGEVCOYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N6/c1-10-17(25-19(23-15(6)7)24-16(8)9)11-12-20-18(21-13(2)3)22-14(4)5/h13-17H,10-12H2,1-9H3,(H2,20,21,22)(H2,23,24,25).
What are the key properties of 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine?
1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine has a molecular weight of 354.59 g/mol, XLogP of 2.86, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(propan-2-ylamino)methylideneamino]pentyl]-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 176521189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).