N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine

C13H27N3 — CID 79543435

IUPACN'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
SMILESNCCCCNC1CCCC1C1CCCN1
InChIInChI=1S/C13H27N3/c14-8-1-2-9-15-12-6-3-5-11(12)13-7-4-10-16-13/h11-13,15-16H,1-10,14H2
InChIKeyPDAYEMWPYQATKZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.24
Rot. Bonds6

About N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine

N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine (PubChem CID 79543435) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
PubChem CID79543435
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
SMILESNCCCCNC1CCCC1C1CCCN1
InChIInChI=1S/C13H27N3/c14-8-1-2-9-15-12-6-3-5-11(12)13-7-4-10-16-13/h11-13,15-16H,1-10,14H2
InChIKeyPDAYEMWPYQATKZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545809
3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549363
N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79546596
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543505
N-(2-propan-2-yloxyethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 104759328
N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide
CID 106332903
2-piperidin-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 106007566
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 106289452
N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide
CID 79536954
N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine
CID 79537332

Frequently Asked Questions

What is the IUPAC name of N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine?
The IUPAC name of N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine (CID 79543435) is N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine?
The canonical SMILES for N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine is NCCCCNC1CCCC1C1CCCN1.
What is the InChIKey of N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine?
The InChIKey is PDAYEMWPYQATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c14-8-1-2-9-15-12-6-3-5-11(12)13-7-4-10-16-13/h11-13,15-16H,1-10,14H2.
What are the key properties of N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine?
N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine is sourced from PubChem (CID 79543435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).