N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine

C14H29NO — CID 43771372

IUPACN-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)16-11-7-10-15-13(3)14-8-5-4-6-9-14/h12-15H,4-11H2,1-3H3
InChIKeyYRDILPTWDWLSJI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine

N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 43771372) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
PubChem CID43771372
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)16-11-7-10-15-13(3)14-8-5-4-6-9-14/h12-15H,4-11H2,1-3H3
InChIKeyYRDILPTWDWLSJI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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

(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
CID 62632435
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43308557
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine (CID 43771372) is N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNC(C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is YRDILPTWDWLSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)16-11-7-10-15-13(3)14-8-5-4-6-9-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine?
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 43771372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).