N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine

C14H24N2 — CID 115677371

IUPACN-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine
SMILESCC(CCc1cccn1C)NC(C)C1CC1
InChIInChI=1S/C14H24N2/c1-11(15-12(2)13-7-8-13)6-9-14-5-4-10-16(14)3/h4-5,10-13,15H,6-9H2,1-3H3
InChIKeyYFCLHSMJMSGMJL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds6

About N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine

N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine (PubChem CID 115677371) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine
PubChem CID115677371
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine
SMILESCC(CCc1cccn1C)NC(C)C1CC1
InChIInChI=1S/C14H24N2/c1-11(15-12(2)13-7-8-13)6-9-14-5-4-10-16(14)3/h4-5,10-13,15H,6-9H2,1-3H3
InChIKeyYFCLHSMJMSGMJL-UHFFFAOYSA-N
XLogP2.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine (CID 115677371) is N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine is CC(CCc1cccn1C)NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine?
The InChIKey is YFCLHSMJMSGMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(15-12(2)13-7-8-13)6-9-14-5-4-10-16(14)3/h4-5,10-13,15H,6-9H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine?
N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine has a molecular weight of 220.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine is sourced from PubChem (CID 115677371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).