N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine

C14H29N3 — CID 114547459

IUPACN-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCCN2CCCNCC2)C1
InChIInChI=1S/C14H29N3/c1-14(2)5-4-13(12-14)16-8-11-17-9-3-6-15-7-10-17/h13,15-16H,3-12H2,1-2H3
InChIKeyBIEVTZBEVRAPMR-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.45
Rot. Bonds4

About N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114547459) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114547459
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCCN2CCCNCC2)C1
InChIInChI=1S/C14H29N3/c1-14(2)5-4-13(12-14)16-8-11-17-9-3-6-15-7-10-17/h13,15-16H,3-12H2,1-2H3
InChIKeyBIEVTZBEVRAPMR-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 80706409
N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine
CID 114547241
N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998876
N-(2-piperidin-1-ylethyl)azepan-4-amine
CID 103981872
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
CID 65286769
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
4,4-dimethyl-N-(2-morpholin-4-ylethyl)cycloheptan-1-amine
CID 65082758
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
3,3-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 114544120
3,3-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 114547529

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 114547459) is N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCCN2CCCNCC2)C1.
What is the InChIKey of N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is BIEVTZBEVRAPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2)5-4-13(12-14)16-8-11-17-9-3-6-15-7-10-17/h13,15-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114547459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).