N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine

C15H24N2 — CID 55210490

IUPACN-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)N(C)CC2CCC2)c1
InChIInChI=1S/C15H24N2/c1-12-5-3-8-14(9-12)15(10-16)17(2)11-13-6-4-7-13/h3,5,8-9,13,15H,4,6-7,10-11,16H2,1-2H3
InChIKeyDXULQTYUOQLBAM-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.73
Rot. Bonds5

About N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine

N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 55210490) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID55210490
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)N(C)CC2CCC2)c1
InChIInChI=1S/C15H24N2/c1-12-5-3-8-14(9-12)15(10-16)17(2)11-13-6-4-7-13/h3,5,8-9,13,15H,4,6-7,10-11,16H2,1-2H3
InChIKeyDXULQTYUOQLBAM-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367
1-N-(cyclobutylmethyl)-1-N-methyl-1-(3-methylphenyl)butane-1,2-diamine
CID 62861456
N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 62860754
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
1-(3-bromo-4-fluorophenyl)-N-(cyclobutylmethyl)-N-methylethane-1,2-diamine
CID 62860214
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
1-(3-bromo-4-fluorophenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 55250020
1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79968542

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine (CID 55210490) is N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(C(CN)N(C)CC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is DXULQTYUOQLBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-5-3-8-14(9-12)15(10-16)17(2)11-13-6-4-7-13/h3,5,8-9,13,15H,4,6-7,10-11,16H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55210490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).