2-methoxy-N-pentan-3-ylcyclohexan-1-amine

C12H25NO — CID 3126341

IUPAC2-methoxy-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)NC1CCCCC1OC
InChIInChI=1S/C12H25NO/c1-4-10(5-2)13-11-8-6-7-9-12(11)14-3/h10-13H,4-9H2,1-3H3
InChIKeyIEQCOANFCVABQA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds5

About 2-methoxy-N-pentan-3-ylcyclohexan-1-amine

2-methoxy-N-pentan-3-ylcyclohexan-1-amine (PubChem CID 3126341) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methoxy-N-pentan-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-pentan-3-ylcyclohexan-1-amine
PubChem CID3126341
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methoxy-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)NC1CCCCC1OC
InChIInChI=1S/C12H25NO/c1-4-10(5-2)13-11-8-6-7-9-12(11)14-3/h10-13H,4-9H2,1-3H3
InChIKeyIEQCOANFCVABQA-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
3-methoxy-2-[(2-methoxycyclohexyl)amino]propan-1-ol
CID 106186803
cis-(1R,2S)-2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 94347863
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372
cis-(1R,2S)-2-methoxy-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
CID 11871353
2-methoxy-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 2850085
N-hexan-2-yl-2-methoxycyclohexan-1-amine
CID 62199829
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N-ethoxy-2-methoxycyclohexan-1-amine
CID 82710281
N-(dicyclopropylmethyl)-2-methoxycyclopentan-1-amine
CID 62086757
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-pentan-3-ylcyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-pentan-3-ylcyclohexan-1-amine (CID 3126341) is 2-methoxy-N-pentan-3-ylcyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-pentan-3-ylcyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-pentan-3-ylcyclohexan-1-amine is CCC(CC)NC1CCCCC1OC.
What is the InChIKey of 2-methoxy-N-pentan-3-ylcyclohexan-1-amine?
The InChIKey is IEQCOANFCVABQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10(5-2)13-11-8-6-7-9-12(11)14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-methoxy-N-pentan-3-ylcyclohexan-1-amine?
2-methoxy-N-pentan-3-ylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-pentan-3-ylcyclohexan-1-amine is sourced from PubChem (CID 3126341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).