N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine

C10H16N2 — CID 177346973

IUPACN-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine
SMILESC=NC1=C(C(=C)C(C)C)CNC1
InChIInChI=1S/C10H16N2/c1-7(2)8(3)9-5-12-6-10(9)11-4/h7,12H,3-6H2,1-2H3
InChIKeyPMSMWKJKXWDBFU-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds3

About N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine

N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine (PubChem CID 177346973) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine.

Molecular Properties

Compound NameN-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine
PubChem CID177346973
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine
SMILESC=NC1=C(C(=C)C(C)C)CNC1
InChIInChI=1S/C10H16N2/c1-7(2)8(3)9-5-12-6-10(9)11-4/h7,12H,3-6H2,1-2H3
InChIKeyPMSMWKJKXWDBFU-UHFFFAOYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylidene-4,5-di(propan-2-yl)-1,2-dihydropyrrole
CID 60125827
4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine
CID 123978975
(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
CID 130181126
(3E)-4-N-methyl-3-(3-methylbut-1-en-2-yl)-2-N-(2-methylpropyl)penta-1,3-diene-2,4-diamine
CID 169947489
N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine
CID 170279100
3-Methyl-5-propan-2-yl-3,6,7,8-tetrahydropyrrolo[3,4-b]azepine
CID 170960760
N,1-dimethyl-2-(methylideneamino)-3-[(Z)-4-methylpent-1-enyl]cyclopent-2-en-1-amine
CID 174326271
N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine
CID 177347097
(Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine
CID 144686628
(3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine
CID 155571479

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine?
The IUPAC name of N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine (CID 177346973) is N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine.
What is the SMILES notation for N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine?
The canonical SMILES for N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine is C=NC1=C(C(=C)C(C)C)CNC1.
What is the InChIKey of N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine?
The InChIKey is PMSMWKJKXWDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8(3)9-5-12-6-10(9)11-4/h7,12H,3-6H2,1-2H3.
What are the key properties of N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine?
N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbut-1-en-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]methanimine is sourced from PubChem (CID 177346973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).