2-butyl-N-methyl-N-propoxycyclohexan-1-amine

C14H29NO — CID 174677162

IUPAC2-butyl-N-methyl-N-propoxycyclohexan-1-amine
SMILESCCCCC1CCCCC1N(C)OCCC
InChIInChI=1S/C14H29NO/c1-4-6-9-13-10-7-8-11-14(13)15(3)16-12-5-2/h13-14H,4-12H2,1-3H3
InChIKeyCINGAUFIRSADBW-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.01
Rot. Bonds7

About 2-butyl-N-methyl-N-propoxycyclohexan-1-amine

2-butyl-N-methyl-N-propoxycyclohexan-1-amine (PubChem CID 174677162) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-butyl-N-methyl-N-propoxycyclohexan-1-amine.

Molecular Properties

Compound Name2-butyl-N-methyl-N-propoxycyclohexan-1-amine
PubChem CID174677162
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-butyl-N-methyl-N-propoxycyclohexan-1-amine
SMILESCCCCC1CCCCC1N(C)OCCC
InChIInChI=1S/C14H29NO/c1-4-6-9-13-10-7-8-11-14(13)15(3)16-12-5-2/h13-14H,4-12H2,1-3H3
InChIKeyCINGAUFIRSADBW-UHFFFAOYSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-N-methyl-N-propoxycyclohexan-1-amine
CID 174677154
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
1,3-diamino-1-(2-butylcyclohexyl)urea
CID 174858599
1-butyl-2-ethylcyclopentane
CID 522474
1-butyl-2,3-dimethylcycloheptane
CID 123688488
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935
2-(3-aminopropyl)-N,N-dimethylcyclopentan-1-amine
CID 82412270
1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one
CID 170057858
1-[3-(2-pentylcyclohexyl)propoxy]-4-propoxybenzene
CID 57258842
3-[methyl-(2-propylcycloheptyl)amino]propan-1-ol
CID 71071610

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-N-propoxycyclohexan-1-amine?
The IUPAC name of 2-butyl-N-methyl-N-propoxycyclohexan-1-amine (CID 174677162) is 2-butyl-N-methyl-N-propoxycyclohexan-1-amine.
What is the SMILES notation for 2-butyl-N-methyl-N-propoxycyclohexan-1-amine?
The canonical SMILES for 2-butyl-N-methyl-N-propoxycyclohexan-1-amine is CCCCC1CCCCC1N(C)OCCC.
What is the InChIKey of 2-butyl-N-methyl-N-propoxycyclohexan-1-amine?
The InChIKey is CINGAUFIRSADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-9-13-10-7-8-11-14(13)15(3)16-12-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-butyl-N-methyl-N-propoxycyclohexan-1-amine?
2-butyl-N-methyl-N-propoxycyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyl-N-propoxycyclohexan-1-amine is sourced from PubChem (CID 174677162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).