N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine

C18H30N2 — CID 62463721

IUPACN-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)CC(C)N(C)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-14(2)11-15(3)20(4)13-17-7-5-16(6-8-17)12-19-18-9-10-18/h5-8,14-15,18-19H,9-13H2,1-4H3
InChIKeyISBZIBANSKOFCQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds8

About N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62463721) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID62463721
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)CC(C)N(C)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-14(2)11-15(3)20(4)13-17-7-5-16(6-8-17)12-19-18-9-10-18/h5-8,14-15,18-19H,9-13H2,1-4H3
InChIKeyISBZIBANSKOFCQ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 55136198
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
CID 112631174
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
CID 55002084
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
N-[[4-methoxy-3-[[methyl(pentan-3-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017227

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 62463721) is N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is CC(C)CC(C)N(C)Cc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is ISBZIBANSKOFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)11-15(3)20(4)13-17-7-5-16(6-8-17)12-19-18-9-10-18/h5-8,14-15,18-19H,9-13H2,1-4H3.
What are the key properties of N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62463721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).