ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine

C16H32N2 — CID 171106562

IUPACethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=C(CCCC(C)C)N1C(C)C.CC
InChIInChI=1S/C14H26N2.C2H6/c1-11(2)7-6-8-13-9-10-14(15-5)16(13)12(3)4;1-2/h9,11-12H,6-8,10H2,1-5H3;1-2H3/b15-14+;
InChIKeyCNNBTTWOTGJZGB-WPDLWGESSA-N
MW252.45 g/mol
LogP4.87
Rot. Bonds5

About ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine

ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine (PubChem CID 171106562) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine.

Molecular Properties

Compound Nameethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
PubChem CID171106562
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Nameethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=C(CCCC(C)C)N1C(C)C.CC
InChIInChI=1S/C14H26N2.C2H6/c1-11(2)7-6-8-13-9-10-14(15-5)16(13)12(3)4;1-2/h9,11-12H,6-8,10H2,1-5H3;1-2H3/b15-14+;
InChIKeyCNNBTTWOTGJZGB-WPDLWGESSA-N
XLogP4.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,4-trimethyl-10-[(1Z,3Z)-5-methylhexa-1,3-dienyl]-2-propyl-1,3-diazacycloundeca-2,8-diene
CID 134270499
N,1-didodecyl-3,3,5-trimethylpyrrol-2-imine
CID 154088420
N'-ethyl-N-[4-[ethyl-[(6Z)-4-propan-2-ylidene-5-propylnona-1,6,8-trien-2-yl]amino]butan-2-yl]-N-methylethanimidamide
CID 154980407
2-cyclohexa-2,4-dien-1-yl-6-methyl-3-nonan-2-yl-4-propyl-4H-pyrimidine
CID 166700908
1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine
CID 170134468
(6Z)-6-ethyl-3,4,8-trimethyl-5,8,9,10-tetrahydroimidazo[1,2-a]azocin-4-ium
CID 174103827
1,1,2,4,5-Pentapentylimidazol-1-ium
CID 175286697
1-[(2E)-1-cyclopropyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-4-ethyl-2-methyl-6-methylidene-5-propylpyrimidine
CID 145502642
N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
CID 171106563
1,5-Dibutyl-1,2-dimethyl-4-(3-methylbutyl)imidazol-1-ium
CID 175301780
5-Butyl-1-ethyl-1,2-dimethyl-4-(3-methylbutyl)imidazol-1-ium
CID 175301786
1,2-Diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium
CID 175344827

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
The IUPAC name of ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine (CID 171106562) is ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine.
What is the SMILES notation for ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
The canonical SMILES for ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine is C/N=C1\CC=C(CCCC(C)C)N1C(C)C.CC.
What is the InChIKey of ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
The InChIKey is CNNBTTWOTGJZGB-WPDLWGESSA-N. The full InChI is InChI=1S/C14H26N2.C2H6/c1-11(2)7-6-8-13-9-10-14(15-5)16(13)12(3)4;1-2/h9,11-12H,6-8,10H2,1-5H3;1-2H3/b15-14+;.
What are the key properties of ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine has a molecular weight of 252.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine is sourced from PubChem (CID 171106562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).