4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine

C15H29N3 — CID 58153963

IUPAC4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCCN(CC3CC3)CC2)CC1
InChIInChI=1S/C15H29N3/c16-14-4-6-15(7-5-14)18-9-1-8-17(10-11-18)12-13-2-3-13/h13-15H,1-12,16H2
InChIKeyBWQLXBGIZVDNRM-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.67
Rot. Bonds3

About 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine

4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine (PubChem CID 58153963) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
PubChem CID58153963
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCCN(CC3CC3)CC2)CC1
InChIInChI=1S/C15H29N3/c16-14-4-6-15(7-5-14)18-9-1-8-17(10-11-18)12-13-2-3-13/h13-15H,1-12,16H2
InChIKeyBWQLXBGIZVDNRM-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
CID 79469281
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
4-(piperidin-1-ylmethyl)cyclohexan-1-amine;hydrochloride
CID 175029660
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611
4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 119057158
4-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 170022927
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 71196303
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]methanamine
CID 79532956

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine (CID 58153963) is 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine is NC1CCC(N2CCCN(CC3CC3)CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine?
The InChIKey is BWQLXBGIZVDNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c16-14-4-6-15(7-5-14)18-9-1-8-17(10-11-18)12-13-2-3-13/h13-15H,1-12,16H2.
What are the key properties of 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine?
4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 58153963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).