N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine

C17H24N2 — CID 43510639

IUPACN-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine
SMILESCc1ccc(C)n1CCCN(C)Cc1ccccc1
InChIInChI=1S/C17H24N2/c1-15-10-11-16(2)19(15)13-7-12-18(3)14-17-8-5-4-6-9-17/h4-6,8-11H,7,12-14H2,1-3H3
InChIKeyCTAZHWHGALMSSL-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.63
Rot. Bonds6

About N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine

N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine (PubChem CID 43510639) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine
PubChem CID43510639
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine
SMILESCc1ccc(C)n1CCCN(C)Cc1ccccc1
InChIInChI=1S/C17H24N2/c1-15-10-11-16(2)19(15)13-7-12-18(3)14-17-8-5-4-6-9-17/h4-6,8-11H,7,12-14H2,1-3H3
InChIKeyCTAZHWHGALMSSL-UHFFFAOYSA-N
XLogP3.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine (CID 43510639) is N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine is Cc1ccc(C)n1CCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine?
The InChIKey is CTAZHWHGALMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-15-10-11-16(2)19(15)13-7-12-18(3)14-17-8-5-4-6-9-17/h4-6,8-11H,7,12-14H2,1-3H3.
What are the key properties of N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine?
N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 43510639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).