N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine

C15H31NO — CID 43104261

IUPACN-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCCCOC1CCCCC1
InChIInChI=1S/C15H31NO/c1-4-13(2)14(3)16-11-8-12-17-15-9-6-5-7-10-15/h13-16H,4-12H2,1-3H3
InChIKeyAMIGNBHHJGNGBL-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine

N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine (PubChem CID 43104261) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
PubChem CID43104261
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCCCOC1CCCCC1
InChIInChI=1S/C15H31NO/c1-4-13(2)14(3)16-11-8-12-17-15-9-6-5-7-10-15/h13-16H,4-12H2,1-3H3
InChIKeyAMIGNBHHJGNGBL-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
CID 125443596
3-cyclohexyloxy-N-(dicyclopropylmethyl)propan-1-amine
CID 43362870
N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
CID 54880326
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
3-cyclopentyloxy-N-methylpropan-1-amine
CID 62444438
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
N-(3-cyclohexyloxypropyl)propane-2-sulfonamide
CID 61363412
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
6-methylheptoxycyclohexane
CID 66984925

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine (CID 43104261) is N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine is CCC(C)C(C)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine?
The InChIKey is AMIGNBHHJGNGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-13(2)14(3)16-11-8-12-17-15-9-6-5-7-10-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine?
N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine is sourced from PubChem (CID 43104261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).