N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine

C14H29N3 — CID 62569104

IUPACN-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
SMILESCN1CCCN(CCCNC2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-16-9-5-11-17(13-12-16)10-4-8-15-14-6-2-3-7-14/h14-15H,2-13H2,1H3
InChIKeyKLBFDMMMZSGPGX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.55
Rot. Bonds5

About N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine

N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine (PubChem CID 62569104) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
PubChem CID62569104
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
SMILESCN1CCCN(CCCNC2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-16-9-5-11-17(13-12-16)10-4-8-15-14-6-2-3-7-14/h14-15H,2-13H2,1H3
InChIKeyKLBFDMMMZSGPGX-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine
CID 63619496
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
trans-(1S,3S)-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-phenylcyclopentan-1-amine
CID 129446341
1-cyclohexyl-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine
CID 110957964
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine (CID 62569104) is N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine is CN1CCCN(CCCNC2CCCC2)CC1.
What is the InChIKey of N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine?
The InChIKey is KLBFDMMMZSGPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-9-5-11-17(13-12-16)10-4-8-15-14-6-2-3-7-14/h14-15H,2-13H2,1H3.
What are the key properties of N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine?
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine has a molecular weight of 239.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 62569104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).