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

C17H28N2 — CID 55136198

IUPACN-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCC(C)CN(C)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-14(2)12-19(3)13-16-7-5-15(6-8-16)11-18-17-9-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyHGUVYWJFSFRFLA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds8

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

N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 55136198) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID55136198
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCC(C)CN(C)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-14(2)12-19(3)13-16-7-5-15(6-8-16)11-18-17-9-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyHGUVYWJFSFRFLA-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62463721
N,N'-dimethyl-N'-(2-methylbutyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 153390414
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54970429
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 105346933
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 55136198) is N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine is CCC(C)CN(C)Cc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is HGUVYWJFSFRFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14(2)12-19(3)13-16-7-5-15(6-8-16)11-18-17-9-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55136198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).