3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine

C10H20N2O — CID 79461363

IUPAC3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCOC2)C1
InChIInChI=1S/C10H20N2O/c11-9-1-2-10(5-9)12-6-8-3-4-13-7-8/h8-10,12H,1-7,11H2
InChIKeyLCUVZSNLWFXVSO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.49
Rot. Bonds3

About 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine

3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine (PubChem CID 79461363) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
PubChem CID79461363
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCOC2)C1
InChIInChI=1S/C10H20N2O/c11-9-1-2-10(5-9)12-6-8-3-4-13-7-8/h8-10,12H,1-7,11H2
InChIKeyLCUVZSNLWFXVSO-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
CID 79461695
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine
CID 79461432
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
CID 112554557
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 64747200
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrrolidin-3-amine
CID 81328588
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671
N-(oxolan-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 43206664

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine (CID 79461363) is 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine is NC1CCC(NCC2CCOC2)C1.
What is the InChIKey of 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine?
The InChIKey is LCUVZSNLWFXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-9-1-2-10(5-9)12-6-8-3-4-13-7-8/h8-10,12H,1-7,11H2.
What are the key properties of 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine?
3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).