N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine

C14H29NO — CID 62542657

IUPACN-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCCCCC1CCC(CNCCOC)CC1
InChIInChI=1S/C14H29NO/c1-3-4-5-13-6-8-14(9-7-13)12-15-10-11-16-2/h13-15H,3-12H2,1-2H3
InChIKeyXPWOFVYKQRMWDJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds8

About N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine

N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine (PubChem CID 62542657) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
PubChem CID62542657
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCCCCC1CCC(CNCCOC)CC1
InChIInChI=1S/C14H29NO/c1-3-4-5-13-6-8-14(9-7-13)12-15-10-11-16-2/h13-15H,3-12H2,1-2H3
InChIKeyXPWOFVYKQRMWDJ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
CID 82223866
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
N-[(3-butylcyclobutyl)methyl]butan-1-amine
CID 97034533
N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine
CID 118055067
N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
CID 106206265

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine (CID 62542657) is N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine is CCCCC1CCC(CNCCOC)CC1.
What is the InChIKey of N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine?
The InChIKey is XPWOFVYKQRMWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-5-13-6-8-14(9-7-13)12-15-10-11-16-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine?
N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62542657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).