1-cyclopentyl-3-methoxy-N-methylhexan-2-amine

C13H27NO — CID 116718854

IUPAC1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(CC1CCCC1)NC
InChIInChI=1S/C13H27NO/c1-4-7-13(15-3)12(14-2)10-11-8-5-6-9-11/h11-14H,4-10H2,1-3H3
InChIKeyRMHFTDPSJOHPEK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine

1-cyclopentyl-3-methoxy-N-methylhexan-2-amine (PubChem CID 116718854) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
PubChem CID116718854
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(CC1CCCC1)NC
InChIInChI=1S/C13H27NO/c1-4-7-13(15-3)12(14-2)10-11-8-5-6-9-11/h11-14H,4-10H2,1-3H3
InChIKeyRMHFTDPSJOHPEK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexyl-3-methoxyhexan-2-yl)hydrazine
CID 105271682
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
1-cycloheptyl-2-methoxy-N-methylpentan-1-amine
CID 116718958
(1-cyclohexyl-3-ethoxyhexan-2-yl)hydrazine
CID 105271338
3-(cyclohexylmethoxy)-N-methylheptan-4-amine
CID 55066438
(1-cycloheptyl-2-methoxypentyl)hydrazine
CID 105271706
(1-cyclobutyl-3-ethoxyhexan-2-yl)hydrazine
CID 105271431
4-methoxy-N-methyldecan-5-amine
CID 116718740
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
1-cyclopropyl-3-methoxyhexan-2-amine
CID 116718581
1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724473
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine (CID 116718854) is 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine is CCCC(OC)C(CC1CCCC1)NC.
What is the InChIKey of 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine?
The InChIKey is RMHFTDPSJOHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-13(15-3)12(14-2)10-11-8-5-6-9-11/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine?
1-cyclopentyl-3-methoxy-N-methylhexan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 116718854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).