N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine

C18H30N2O — CID 54809931

IUPACN'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNC1CCCCC1
InChIInChI=1S/C18H30N2O/c1-2-3-15-21-18-12-8-7-11-17(18)20-14-13-19-16-9-5-4-6-10-16/h7-8,11-12,16,19-20H,2-6,9-10,13-15H2,1H3
InChIKeyKVATZHRFUVSSKS-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.20
Rot. Bonds9

About N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine

N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine (PubChem CID 54809931) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
PubChem CID54809931
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNC1CCCCC1
InChIInChI=1S/C18H30N2O/c1-2-3-15-21-18-12-8-7-11-17(18)20-14-13-19-16-9-5-4-6-10-16/h7-8,11-12,16,19-20H,2-6,9-10,13-15H2,1H3
InChIKeyKVATZHRFUVSSKS-UHFFFAOYSA-N
XLogP4.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
N-cyclohexyl-2-propoxyaniline
CID 43682292
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
4-(2-butoxyanilino)butan-1-ol
CID 54803446
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870
N-(2-butoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805567
2-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54801700
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
2-butoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806988
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine?
The IUPAC name of N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine (CID 54809931) is N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine.
What is the SMILES notation for N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine?
The canonical SMILES for N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine is CCCCOc1ccccc1NCCNC1CCCCC1.
What is the InChIKey of N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine?
The InChIKey is KVATZHRFUVSSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-15-21-18-12-8-7-11-17(18)20-14-13-19-16-9-5-4-6-10-16/h7-8,11-12,16,19-20H,2-6,9-10,13-15H2,1H3.
What are the key properties of N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine?
N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 54809931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).