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

C14H26N2 — CID 171106563

IUPACN-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=C(CCCC(C)C)N1C(C)C
InChIInChI=1S/C14H26N2/c1-11(2)7-6-8-13-9-10-14(15-5)16(13)12(3)4/h9,11-12H,6-8,10H2,1-5H3/b15-14+
InChIKeyUCLMBCBOOCWBBS-CCEZHUSRSA-N
MW222.38 g/mol
LogP3.84
Rot. Bonds5

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

N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine (PubChem CID 171106563) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine.

Molecular Properties

Compound NameN-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
PubChem CID171106563
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=C(CCCC(C)C)N1C(C)C
InChIInChI=1S/C14H26N2/c1-11(2)7-6-8-13-9-10-14(15-5)16(13)12(3)4/h9,11-12H,6-8,10H2,1-5H3/b15-14+
InChIKeyUCLMBCBOOCWBBS-CCEZHUSRSA-N
XLogP3.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide
CID 166886864
1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine
CID 170134468
ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
CID 171106562
(6Z)-6-ethyl-3,4,8-trimethyl-5,8,9,10-tetrahydroimidazo[1,2-a]azocin-4-ium
CID 174103827
(E)-N-[(E)-1-bromoprop-1-enyl]-1-cyclobutyl-3-ethyl-5-methyl-3H-pyrrol-2-imine
CID 176971043
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-Butyl-1-ethyl-2-methyl-5-pentan-2-ylimidazol-1-ium
CID 175307198
1,2-Diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium
CID 175344827

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
The IUPAC name of N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine (CID 171106563) is N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine.
What is the SMILES notation for N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
The canonical SMILES for 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.
What is the InChIKey of N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
The InChIKey is UCLMBCBOOCWBBS-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)7-6-8-13-9-10-14(15-5)16(13)12(3)4/h9,11-12H,6-8,10H2,1-5H3/b15-14+.
What are the key properties of N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine?
N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine has a molecular weight of 222.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine is sourced from PubChem (CID 171106563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).