4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine

C13H26N2O — CID 114544886

IUPAC4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine
SMILESCC1(C)CCC(NC2(CN)CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-12(2)4-3-11(9-12)15-13(10-14)5-7-16-8-6-13/h11,15H,3-10,14H2,1-2H3
InChIKeyTWSIWCMSLHVITM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.66
Rot. Bonds3

About 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine

4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine (PubChem CID 114544886) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine
PubChem CID114544886
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine
SMILESCC1(C)CCC(NC2(CN)CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-12(2)4-3-11(9-12)15-13(10-14)5-7-16-8-6-13/h11,15H,3-10,14H2,1-2H3
InChIKeyTWSIWCMSLHVITM-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxolan-3-amine
CID 114544816
1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine
CID 114544947
3-(aminomethyl)-N-cyclohexyloxolan-3-amine
CID 65385376
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 114547571
4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
CID 65379737
1-(aminomethyl)-N-cyclopentyl-3,3-dimethylcyclopentan-1-amine
CID 80706363
1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
CID 62071894
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]cyclopentanamine
CID 130847292
2-[(3,3-dimethylcyclopentyl)amino]-N-(oxan-4-yl)acetamide
CID 114546014
4-(aminomethyl)-N-prop-2-ynyloxan-4-amine
CID 65379972
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine (CID 114544886) is 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine is CC1(C)CCC(NC2(CN)CCOCC2)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine?
The InChIKey is TWSIWCMSLHVITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)4-3-11(9-12)15-13(10-14)5-7-16-8-6-13/h11,15H,3-10,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine?
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine is sourced from PubChem (CID 114544886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).