1-cyclohexyl-N-methyl-3-propoxypropan-1-amine

C13H27NO — CID 105079512

IUPAC1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-10-15-11-9-13(14-2)12-7-5-4-6-8-12/h12-14H,3-11H2,1-2H3
InChIKeySHPWPQMOJWUUDK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine

1-cyclohexyl-N-methyl-3-propoxypropan-1-amine (PubChem CID 105079512) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
PubChem CID105079512
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-10-15-11-9-13(14-2)12-7-5-4-6-8-12/h12-14H,3-11H2,1-2H3
InChIKeySHPWPQMOJWUUDK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-Cyclohexylethoxy)ethyl]piperidine
CID 56829863
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
2-(3-Ethoxypropyl) cyclohexylamine
CID 13948384
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490333
N-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64496372
N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64498047
N-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64499135
N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718531
3-(Cyclohexylmethyl)oxan-4-amine
CID 82398610

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine?
The IUPAC name of 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine (CID 105079512) is 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine is CCCOCCC(NC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine?
The InChIKey is SHPWPQMOJWUUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-10-15-11-9-13(14-2)12-7-5-4-6-8-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine?
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105079512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).