N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine

C19H32N2 — CID 115463874

IUPACN-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCCCN(Cc1ccccc1CCNC(C)C)CC1CC1
InChIInChI=1S/C19H32N2/c1-4-13-21(14-17-9-10-17)15-19-8-6-5-7-18(19)11-12-20-16(2)3/h5-8,16-17,20H,4,9-15H2,1-3H3
InChIKeyBSXXLJNYKQPIJG-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine (PubChem CID 115463874) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
PubChem CID115463874
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCCCN(Cc1ccccc1CCNC(C)C)CC1CC1
InChIInChI=1S/C19H32N2/c1-4-13-21(14-17-9-10-17)15-19-8-6-5-7-18(19)11-12-20-16(2)3/h5-8,16-17,20H,4,9-15H2,1-3H3
InChIKeyBSXXLJNYKQPIJG-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
N-(cyclopropylmethyl)-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073889
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 23822564
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62469605
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine (CID 115463874) is N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine is CCCN(Cc1ccccc1CCNC(C)C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
The InChIKey is BSXXLJNYKQPIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-13-21(14-17-9-10-17)15-19-8-6-5-7-18(19)11-12-20-16(2)3/h5-8,16-17,20H,4,9-15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115463874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).