N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C19H32N2 — CID 62431123

IUPACN-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCN(Cc1ccc(CNCC(C)C)cc1)CC1CC1
InChIInChI=1S/C19H32N2/c1-4-11-21(15-19-9-10-19)14-18-7-5-17(6-8-18)13-20-12-16(2)3/h5-8,16,19-20H,4,9-15H2,1-3H3
InChIKeyLPGOWPWHBSKDSJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds10

About N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62431123) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62431123
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCN(Cc1ccc(CNCC(C)C)cc1)CC1CC1
InChIInChI=1S/C19H32N2/c1-4-11-21(15-19-9-10-19)14-18-7-5-17(6-8-18)13-20-12-16(2)3/h5-8,16,19-20H,4,9-15H2,1-3H3
InChIKeyLPGOWPWHBSKDSJ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
2-[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]-N-ethylpropan-1-amine
CID 105347314
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438328
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
CID 64520020
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 62431123) is N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is CCCN(Cc1ccc(CNCC(C)C)cc1)CC1CC1.
What is the InChIKey of N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LPGOWPWHBSKDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-11-21(15-19-9-10-19)14-18-7-5-17(6-8-18)13-20-12-16(2)3/h5-8,16,19-20H,4,9-15H2,1-3H3.
What are the key properties of N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62431123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).