N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine

C18H30N2 — CID 107401665

IUPACN'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(C)cc1)CC1CCC1
InChIInChI=1S/C18H30N2/c1-4-20(14-16-6-5-7-16)13-12-18(19-3)17-10-8-15(2)9-11-17/h8-11,16,18-19H,4-7,12-14H2,1-3H3
InChIKeyKOJCTANWEKWFGR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds8

About N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine

N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 107401665) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID107401665
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(C)cc1)CC1CCC1
InChIInChI=1S/C18H30N2/c1-4-20(14-16-6-5-7-16)13-12-18(19-3)17-10-8-15(2)9-11-17/h8-11,16,18-19H,4-7,12-14H2,1-3H3
InChIKeyKOJCTANWEKWFGR-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 63940446
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 107397996
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 107401727
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401589
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine (CID 107401665) is N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine is CCN(CCC(NC)c1ccc(C)cc1)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is KOJCTANWEKWFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(14-16-6-5-7-16)13-12-18(19-3)17-10-8-15(2)9-11-17/h8-11,16,18-19H,4-7,12-14H2,1-3H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 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-methyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 107401665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).