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

C16H26N2 — CID 63879251

IUPAC2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
SMILESCC1CC1CN(C)C(CN)CCc1ccccc1
InChIInChI=1S/C16H26N2/c1-13-10-15(13)12-18(2)16(11-17)9-8-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3
InChIKeyRZIIHFXXQCNVKQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.53
Rot. Bonds7

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

2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine (PubChem CID 63879251) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
PubChem CID63879251
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
SMILESCC1CC1CN(C)C(CN)CCc1ccccc1
InChIInChI=1S/C16H26N2/c1-13-10-15(13)12-18(2)16(11-17)9-8-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3
InChIKeyRZIIHFXXQCNVKQ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
CID 62881613
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
CID 62879729
2-N-methyl-4-phenyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62880068
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 106675705
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 103188024

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine (CID 63879251) is 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine is CC1CC1CN(C)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine?
The InChIKey is RZIIHFXXQCNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-10-15(13)12-18(2)16(11-17)9-8-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine?
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 63879251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).