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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Related Compounds

N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine
CID 97323045
2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 110014787
cis-(1S,2R)-2-[[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132467
(2R)-2-(hydroxymethyl)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 124505467
(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 124505468
1-(2-hydroxyethyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111474130
N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-2-methylsulfonylaniline
CID 71870962
1-(1-hydroxy-4-methylpentan-3-yl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111508276
1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 71924001
(3R)-3-(1-cyclopropylethylamino)butan-1-ol
CID 103871785
3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
CID 75454694
1-(4-hydroxy-2-methylpentyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111508300

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).