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

C17H28N2 — CID 63965008

IUPACN-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCC(C)(C)N(C)Cc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H28N2/c1-5-17(2,3)19(4)13-15-8-6-7-14(11-15)12-18-16-9-10-16/h6-8,11,16,18H,5,9-10,12-13H2,1-4H3
InChIKeyQJIJFJIJIBKMKD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.56
Rot. Bonds7

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

N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 63965008) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID63965008
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCC(C)(C)N(C)Cc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H28N2/c1-5-17(2,3)19(4)13-15-8-6-7-14(11-15)12-18-16-9-10-16/h6-8,11,16,18H,5,9-10,12-13H2,1-4H3
InChIKeyQJIJFJIJIBKMKD-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63982071
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
N-[[2-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63967417
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine
CID 62422304
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430584
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
CID 116992767

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 63965008) is N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is CCC(C)(C)N(C)Cc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is QJIJFJIJIBKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-17(2,3)19(4)13-15-8-6-7-14(11-15)12-18-16-9-10-16/h6-8,11,16,18H,5,9-10,12-13H2,1-4H3.
What are the key properties of N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 260.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63965008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).