2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine

C14H27NO — CID 106662513

IUPAC2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC1CCOCC1
InChIInChI=1S/C14H27NO/c1-11-8-14(2,3)9-13(11)15-10-12-4-6-16-7-5-12/h11-13,15H,4-10H2,1-3H3
InChIKeyAPJPFAGYMROBBF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds3

About 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine (PubChem CID 106662513) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
PubChem CID106662513
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC1CCOCC1
InChIInChI=1S/C14H27NO/c1-11-8-14(2,3)9-13(11)15-10-12-4-6-16-7-5-12/h11-13,15H,4-10H2,1-3H3
InChIKeyAPJPFAGYMROBBF-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 130519839
2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 106662241
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 99838080
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662772
4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
CID 65088248
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661614
2,4,4-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopentan-1-amine
CID 106661695
(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
CID 126846605
N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662856

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine (CID 106662513) is 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine is CC1CC(C)(C)CC1NCC1CCOCC1.
What is the InChIKey of 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is APJPFAGYMROBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-8-14(2,3)9-13(11)15-10-12-4-6-16-7-5-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 106662513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).