3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine

C11H18N2 — CID 143316542

IUPAC3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine
SMILESC=C(CC(C)C)NC1=NCC(C)=C1
InChIInChI=1S/C11H18N2/c1-8(2)5-10(4)13-11-6-9(3)7-12-11/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyNDRYAEKTYNDIDD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.49
Rot. Bonds3

About 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine

3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine (PubChem CID 143316542) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine
PubChem CID143316542
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine
SMILESC=C(CC(C)C)NC1=NCC(C)=C1
InChIInChI=1S/C11H18N2/c1-8(2)5-10(4)13-11-6-9(3)7-12-11/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyNDRYAEKTYNDIDD-UHFFFAOYSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3Z)-3-ethylidene-N-(3-methylbut-1-en-2-yl)pyrrol-2-amine
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N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
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(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide
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(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine
CID 134511700
5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine
CID 146416395
N-but-1-en-2-yl-4-methyl-2,3-dihydropyridin-6-amine
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N-[(Z)-but-2-en-2-yl]-N'-methyl-2-methylidenebutanimidamide
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N-[(Z)-but-2-en-2-yl]-5-methylidene-3,4-dihydro-2H-pyridin-6-amine;ethane
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine?
The IUPAC name of 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine (CID 143316542) is 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine.
What is the SMILES notation for 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine?
The canonical SMILES for 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine is C=C(CC(C)C)NC1=NCC(C)=C1.
What is the InChIKey of 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine?
The InChIKey is NDRYAEKTYNDIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)5-10(4)13-11-6-9(3)7-12-11/h6,8H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine?
3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine has a molecular weight of 178.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine is sourced from PubChem (CID 143316542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).