N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine

C16H26N2 — CID 107402188

IUPACN'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
SMILESCCN(CCCNc1ccccc1)CC1CCC1
InChIInChI=1S/C16H26N2/c1-2-18(14-15-8-6-9-15)13-7-12-17-16-10-4-3-5-11-16/h3-5,10-11,15,17H,2,6-9,12-14H2,1H3
InChIKeyIDLUTUTVXRSXTN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.61
Rot. Bonds8

About N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine

N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine (PubChem CID 107402188) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
PubChem CID107402188
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
SMILESCCN(CCCNc1ccccc1)CC1CCC1
InChIInChI=1S/C16H26N2/c1-2-18(14-15-8-6-9-15)13-7-12-17-16-10-4-3-5-11-16/h3-5,10-11,15,17H,2,6-9,12-14H2,1H3
InChIKeyIDLUTUTVXRSXTN-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.61
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'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 3069993
N'-(cyclohexylmethyl)-N'-ethyl-N-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584861
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
N-(2-cyclotridecylethyl)cyclodecapentaenamine
CID 167244550
N-(2-cycloundecylethyl)cyclodecapentaenamine
CID 155097457
N-(2-cyclodecylethyl)cyclodecapentaenamine
CID 155323771

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine (CID 107402188) is N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine is CCN(CCCNc1ccccc1)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine?
The InChIKey is IDLUTUTVXRSXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-18(14-15-8-6-9-15)13-7-12-17-16-10-4-3-5-11-16/h3-5,10-11,15,17H,2,6-9,12-14H2,1H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine?
N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 107402188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).