N-[(1,4-dibutylcyclohexyl)methyl]ethanamine

C17H35N — CID 63523259

IUPACN-[(1,4-dibutylcyclohexyl)methyl]ethanamine
SMILESCCCCC1CCC(CCCC)(CNCC)CC1
InChIInChI=1S/C17H35N/c1-4-7-9-16-10-13-17(14-11-16,12-8-5-2)15-18-6-3/h16,18H,4-15H2,1-3H3
InChIKeyWKNWPBLKXHLWFM-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds9

About N-[(1,4-dibutylcyclohexyl)methyl]ethanamine

N-[(1,4-dibutylcyclohexyl)methyl]ethanamine (PubChem CID 63523259) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(1,4-dibutylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,4-dibutylcyclohexyl)methyl]ethanamine
PubChem CID63523259
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(1,4-dibutylcyclohexyl)methyl]ethanamine
SMILESCCCCC1CCC(CCCC)(CNCC)CC1
InChIInChI=1S/C17H35N/c1-4-7-9-16-10-13-17(14-11-16,12-8-5-2)15-18-6-3/h16,18H,4-15H2,1-3H3
InChIKeyWKNWPBLKXHLWFM-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine
CID 63523248
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
1-(bromomethyl)-4-butyl-1-octylcyclohexane
CID 66047977
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dibutylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1,4-dibutylcyclohexyl)methyl]ethanamine (CID 63523259) is N-[(1,4-dibutylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1,4-dibutylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1,4-dibutylcyclohexyl)methyl]ethanamine is CCCCC1CCC(CCCC)(CNCC)CC1.
What is the InChIKey of N-[(1,4-dibutylcyclohexyl)methyl]ethanamine?
The InChIKey is WKNWPBLKXHLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-7-9-16-10-13-17(14-11-16,12-8-5-2)15-18-6-3/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[(1,4-dibutylcyclohexyl)methyl]ethanamine?
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dibutylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63523259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).