N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine

C19H32N2 — CID 105347466

IUPACN-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
SMILESCC(C)CCN(C)Cc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)11-12-21(4)14-17-5-7-18(8-6-17)16(3)13-20-19-9-10-19/h5-8,15-16,19-20H,9-14H2,1-4H3
InChIKeyHVMXWXKTCPOXOC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds9

About N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine

N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine (PubChem CID 105347466) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
PubChem CID105347466
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
SMILESCC(C)CCN(C)Cc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)11-12-21(4)14-17-5-7-18(8-6-17)16(3)13-20-19-9-10-19/h5-8,15-16,19-20H,9-14H2,1-4H3
InChIKeyHVMXWXKTCPOXOC-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
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
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454747
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
CID 105351918
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine (CID 105347466) is N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine is CC(C)CCN(C)Cc1ccc(C(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine?
The InChIKey is HVMXWXKTCPOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)11-12-21(4)14-17-5-7-18(8-6-17)16(3)13-20-19-9-10-19/h5-8,15-16,19-20H,9-14H2,1-4H3.
What are the key properties of N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine?
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 105347466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).