5-(cyclohexylmethoxy)-N-propylpentan-1-amine

C15H31NO — CID 62485454

IUPAC5-(cyclohexylmethoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOCC1CCCCC1
InChIInChI=1S/C15H31NO/c1-2-11-16-12-7-4-8-13-17-14-15-9-5-3-6-10-15/h15-16H,2-14H2,1H3
InChIKeySTHQUVLLKQOVFN-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds10

About 5-(cyclohexylmethoxy)-N-propylpentan-1-amine

5-(cyclohexylmethoxy)-N-propylpentan-1-amine (PubChem CID 62485454) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-N-propylpentan-1-amine
PubChem CID62485454
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-(cyclohexylmethoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOCC1CCCCC1
InChIInChI=1S/C15H31NO/c1-2-11-16-12-7-4-8-13-17-14-15-9-5-3-6-10-15/h15-16H,2-14H2,1H3
InChIKeySTHQUVLLKQOVFN-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
5-pentoxy-N-propylpentan-1-amine
CID 62451179
7-ethoxy-N-propylheptan-1-amine
CID 163393813
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 66323366
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
9-(cyclohexylmethoxy)nonane-1-thiol
CID 105344448
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(cyclohexylmethoxy)-N-propylpentan-1-amine (CID 62485454) is 5-(cyclohexylmethoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(cyclohexylmethoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(cyclohexylmethoxy)-N-propylpentan-1-amine is CCCNCCCCCOCC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethoxy)-N-propylpentan-1-amine?
The InChIKey is STHQUVLLKQOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-11-16-12-7-4-8-13-17-14-15-9-5-3-6-10-15/h15-16H,2-14H2,1H3.
What are the key properties of 5-(cyclohexylmethoxy)-N-propylpentan-1-amine?
5-(cyclohexylmethoxy)-N-propylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62485454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).