N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine

C19H32N2 — CID 62429494

IUPACN-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
SMILESCCCCN(Cc1ccc(CNCC(C)C)cc1)C1CC1
InChIInChI=1S/C19H32N2/c1-4-5-12-21(19-10-11-19)15-18-8-6-17(7-9-18)14-20-13-16(2)3/h6-9,16,19-20H,4-5,10-15H2,1-3H3
InChIKeyLFKWUZBQIZKVSA-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds10

About N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine

N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62429494) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62429494
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
SMILESCCCCN(Cc1ccc(CNCC(C)C)cc1)C1CC1
InChIInChI=1S/C19H32N2/c1-4-5-12-21(19-10-11-19)15-18-8-6-17(7-9-18)14-20-13-16(2)3/h6-9,16,19-20H,4-5,10-15H2,1-3H3
InChIKeyLFKWUZBQIZKVSA-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine (CID 62429494) is N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine is CCCCN(Cc1ccc(CNCC(C)C)cc1)C1CC1.
What is the InChIKey of N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is LFKWUZBQIZKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-5-12-21(19-10-11-19)15-18-8-6-17(7-9-18)14-20-13-16(2)3/h6-9,16,19-20H,4-5,10-15H2,1-3H3.
What are the key properties of N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62429494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).