N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

C18H28N2 — CID 62557701

IUPACN-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-14-5-3-4-6-17(14)13-20(2)12-11-19-18(15-7-8-15)16-9-10-16/h3-6,15-16,18-19H,7-13H2,1-2H3
InChIKeyRJCYPYHCFPBZNB-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.21
Rot. Bonds8

About N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62557701) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID62557701
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-14-5-3-4-6-17(14)13-20(2)12-11-19-18(15-7-8-15)16-9-10-16/h3-6,15-16,18-19H,7-13H2,1-2H3
InChIKeyRJCYPYHCFPBZNB-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55089797
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
CID 103256389
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63725313
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N'-[(2-bromo-3-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 114023812
N-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 63502577
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62558392
2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid
CID 62694882

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (CID 62557701) is N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccccc1CN(C)CCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is RJCYPYHCFPBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-5-3-4-6-17(14)13-20(2)12-11-19-18(15-7-8-15)16-9-10-16/h3-6,15-16,18-19H,7-13H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62557701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).