1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine

C17H28N2 — CID 107397326

IUPAC1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine
SMILESCCN(CC1CCC1)C(c1cccc(C)c1)C(C)N
InChIInChI=1S/C17H28N2/c1-4-19(12-15-8-6-9-15)17(14(3)18)16-10-5-7-13(2)11-16/h5,7,10-11,14-15,17H,4,6,8-9,12,18H2,1-3H3
InChIKeyCXHJNSJQOUNTFI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds6

About 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine

1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine (PubChem CID 107397326) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine
PubChem CID107397326
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine
SMILESCCN(CC1CCC1)C(c1cccc(C)c1)C(C)N
InChIInChI=1S/C17H28N2/c1-4-19(12-15-8-6-9-15)17(14(3)18)16-10-5-7-13(2)11-16/h5,7,10-11,14-15,17H,4,6,8-9,12,18H2,1-3H3
InChIKeyCXHJNSJQOUNTFI-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclobutylmethyl)-1-N-ethyl-1-(4-methylphenyl)propane-1,2-diamine
CID 107397353
1-N-(cyclobutylmethyl)-1-N-methyl-1-(3-methylphenyl)butane-1,2-diamine
CID 62861456
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
3-[[2-amino-1-(3-methylphenyl)propyl]-ethylamino]-2-methylpropanenitrile
CID 55020222
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308741
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine (CID 107397326) is 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine is CCN(CC1CCC1)C(c1cccc(C)c1)C(C)N.
What is the InChIKey of 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine?
The InChIKey is CXHJNSJQOUNTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(12-15-8-6-9-15)17(14(3)18)16-10-5-7-13(2)11-16/h5,7,10-11,14-15,17H,4,6,8-9,12,18H2,1-3H3.
What are the key properties of 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine?
1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 107397326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).