N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine

C16H26N2 — CID 63859842

IUPACN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
SMILESCC1CC1CN(C)CCCC(N)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13-11-15(13)12-18(2)10-6-9-16(17)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12,17H2,1-2H3
InChIKeyYZFDMNVAMDCIGG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.05
Rot. Bonds7

About N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine (PubChem CID 63859842) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
PubChem CID63859842
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
SMILESCC1CC1CN(C)CCCC(N)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13-11-15(13)12-18(2)10-6-9-16(17)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12,17H2,1-2H3
InChIKeyYZFDMNVAMDCIGG-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829
N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
CID 63656962
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
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
CID 63321929
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
CID 63880126
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 107521321
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
CID 65015369
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine (CID 63859842) is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine is CC1CC1CN(C)CCCC(N)c1ccccc1.
What is the InChIKey of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine?
The InChIKey is YZFDMNVAMDCIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-11-15(13)12-18(2)10-6-9-16(17)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12,17H2,1-2H3.
What are the key properties of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine?
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.05, 7 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-phenylbutane-1,4-diamine is sourced from PubChem (CID 63859842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).