1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine

C17H35NO — CID 106456822

IUPAC1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCOCCC)(CNC)CC1
InChIInChI=1S/C17H35NO/c1-4-6-7-16-8-10-17(11-9-16,15-18-3)12-14-19-13-5-2/h16,18H,4-15H2,1-3H3
InChIKeyGZSGWLSBCBOUCC-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds10

About 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine

1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 106456822) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
PubChem CID106456822
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCOCCC)(CNC)CC1
InChIInChI=1S/C17H35NO/c1-4-6-7-16-8-10-17(11-9-16,15-18-3)12-14-19-13-5-2/h16,18H,4-15H2,1-3H3
InChIKeyGZSGWLSBCBOUCC-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
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

1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine (CID 106456822) is 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine is CCCCC1CCC(CCOCCC)(CNC)CC1.
What is the InChIKey of 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is GZSGWLSBCBOUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-7-16-8-10-17(11-9-16,15-18-3)12-14-19-13-5-2/h16,18H,4-15H2,1-3H3.
What are the key properties of 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine?
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 106456822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).