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

C12H20N2 — CID 143316770

IUPAC3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine
SMILESC=C(CCC(C)C)NC1=NCC(C)=C1
InChIInChI=1S/C12H20N2/c1-9(2)5-6-11(4)14-12-7-10(3)8-13-12/h7,9H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyDQNKXHQCXGJTFI-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.88
Rot. Bonds4

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

3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine (PubChem CID 143316770) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine
PubChem CID143316770
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine
SMILESC=C(CCC(C)C)NC1=NCC(C)=C1
InChIInChI=1S/C12H20N2/c1-9(2)5-6-11(4)14-12-7-10(3)8-13-12/h7,9H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyDQNKXHQCXGJTFI-UHFFFAOYSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
CID 121321050
(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine
CID 123845893
N'-methyl-N-(3-methylhex-1-en-2-yl)ethanimidamide
CID 132095778
(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine
CID 134511700
3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine
CID 143316542
ethane;5-methylidene-N-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-amine
CID 165133724
N-[(Z)-but-2-en-2-yl]-N'-methyl-2-methylidenehex-5-enimidamide
CID 169586570
N-[(Z)-but-2-en-2-yl]-5-methylidene-3,4-dihydro-2H-pyridin-6-amine;ethane
CID 170582294
N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide
CID 143316348
N-[(Z)-but-2-en-2-yl]-5-methylidene-3,4-dihydro-2H-pyridin-6-amine
CID 170582295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine?
The IUPAC name of 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine (CID 143316770) is 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine.
What is the SMILES notation for 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine?
The canonical SMILES for 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine is C=C(CCC(C)C)NC1=NCC(C)=C1.
What is the InChIKey of 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine?
The InChIKey is DQNKXHQCXGJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)5-6-11(4)14-12-7-10(3)8-13-12/h7,9H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine?
3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine has a molecular weight of 192.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine is sourced from PubChem (CID 143316770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).