N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine

C15H24N2 — CID 55258829

IUPACN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
SMILESCC1CC1CN(C)CCC(N)c1ccccc1
InChIInChI=1S/C15H24N2/c1-12-10-14(12)11-17(2)9-8-15(16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyGBUPVBDPVISAMB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.66
Rot. Bonds6

About N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine (PubChem CID 55258829) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
PubChem CID55258829
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
SMILESCC1CC1CN(C)CCC(N)c1ccccc1
InChIInChI=1S/C15H24N2/c1-12-10-14(12)11-17(2)9-8-15(16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyGBUPVBDPVISAMB-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864710
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 55259017
3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
CID 65015369
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
CID 63656962
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 107521321
1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol
CID 116695860
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63866126
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
CID 63880276

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine (CID 55258829) is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine is CC1CC1CN(C)CCC(N)c1ccccc1.
What is the InChIKey of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine?
The InChIKey is GBUPVBDPVISAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-10-14(12)11-17(2)9-8-15(16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3.
What are the key properties of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine?
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 55258829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).