N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine

C13H27NO — CID 106874665

IUPACN-ethyl-1-(3-methoxycyclohexyl)butan-1-amine
SMILESCCCC(NCC)C1CCCC(OC)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(14-5-2)11-8-6-9-12(10-11)15-3/h11-14H,4-10H2,1-3H3
InChIKeySDUGFPZEOVIEIS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine

N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine (PubChem CID 106874665) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxycyclohexyl)butan-1-amine
PubChem CID106874665
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-1-(3-methoxycyclohexyl)butan-1-amine
SMILESCCCC(NCC)C1CCCC(OC)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(14-5-2)11-8-6-9-12(10-11)15-3/h11-14H,4-10H2,1-3H3
InChIKeySDUGFPZEOVIEIS-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
CID 105156239
1-cyclobutyl-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032134
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
CID 105014365
1-(1,1-dioxothian-3-yl)-N-ethylbutan-1-amine
CID 83050384
2-(3-methoxycyclohexyl)pentan-3-ol
CID 79436910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine (CID 106874665) is N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine is CCCC(NCC)C1CCCC(OC)C1.
What is the InChIKey of N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine?
The InChIKey is SDUGFPZEOVIEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-13(14-5-2)11-8-6-9-12(10-11)15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine?
N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxycyclohexyl)butan-1-amine is sourced from PubChem (CID 106874665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).