1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine

C18H34N4 — CID 154365130

IUPAC1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine
SMILESC1CCC(NC2CC2)(N(NC2CCCC2)NC2CCC2)CC1
InChIInChI=1S/C18H34N4/c1-4-13-18(14-5-1,19-15-11-12-15)22(21-17-9-6-10-17)20-16-7-2-3-8-16/h15-17,19-21H,1-14H2
InChIKeyBWEVZFWNIPREOB-UHFFFAOYSA-N
MW306.50 g/mol
LogP3.21
Rot. Bonds7

About 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine

1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine (PubChem CID 154365130) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine
PubChem CID154365130
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine
SMILESC1CCC(NC2CC2)(N(NC2CCCC2)NC2CCC2)CC1
InChIInChI=1S/C18H34N4/c1-4-13-18(14-5-1,19-15-11-12-15)22(21-17-9-6-10-17)20-16-7-2-3-8-16/h15-17,19-21H,1-14H2
InChIKeyBWEVZFWNIPREOB-UHFFFAOYSA-N
XLogP3.21
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylcyclopropyl)cyclohexanamine
CID 115907289
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
N-[1-(chloromethyl)cyclopentyl]cycloheptanamine
CID 82937078
N-(1-cyclopropylcyclopropyl)cyclohexanamine
CID 130685759
1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione
CID 18316049
1,2-di(cyclononyl)hydrazine
CID 155042261
1-(aminomethyl)-N-cyclohexyl-2,2-dimethylcyclohexan-1-amine
CID 79847390
cyclohexyl-(cyclohexylamino)carbamodithioic acid
CID 87476761
N-cyclopropylcyclododecanamine
CID 16776852
N-(1-isocyanocyclobutyl)cyclohexanamine
CID 123251847
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667

Frequently Asked Questions

What is the IUPAC name of 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine?
The IUPAC name of 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine (CID 154365130) is 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine.
What is the SMILES notation for 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine?
The canonical SMILES for 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine is C1CCC(NC2CC2)(N(NC2CCCC2)NC2CCC2)CC1.
What is the InChIKey of 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine?
The InChIKey is BWEVZFWNIPREOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-4-13-18(14-5-1,19-15-11-12-15)22(21-17-9-6-10-17)20-16-7-2-3-8-16/h15-17,19-21H,1-14H2.
What are the key properties of 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine?
1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine has a molecular weight of 306.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine is sourced from PubChem (CID 154365130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).