N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine

C18H28N2 — CID 62413208

IUPACN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)N(Cc1cccc(CNC2CC2)c1)CC1CC1
InChIInChI=1S/C18H28N2/c1-14(2)20(12-15-6-7-15)13-17-5-3-4-16(10-17)11-19-18-8-9-18/h3-5,10,14-15,18-19H,6-9,11-13H2,1-2H3
InChIKeyXYSNIMWKJYZDSL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.56
Rot. Bonds8

About N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62413208) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID62413208
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)N(Cc1cccc(CNC2CC2)c1)CC1CC1
InChIInChI=1S/C18H28N2/c1-14(2)20(12-15-6-7-15)13-17-5-3-4-16(10-17)11-19-18-8-9-18/h3-5,10,14-15,18-19H,6-9,11-13H2,1-2H3
InChIKeyXYSNIMWKJYZDSL-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62413210
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine
CID 62422304
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430584
N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 64521279
3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 62413208) is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is CC(C)N(Cc1cccc(CNC2CC2)c1)CC1CC1.
What is the InChIKey of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is XYSNIMWKJYZDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)20(12-15-6-7-15)13-17-5-3-4-16(10-17)11-19-18-8-9-18/h3-5,10,14-15,18-19H,6-9,11-13H2,1-2H3.
What are the key properties of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62413208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).