1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine

C10H15N — CID 142957690

IUPAC1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine
SMILESCCC/N=C/C1=CC=C(C)C1
InChIInChI=1S/C10H15N/c1-3-6-11-8-10-5-4-9(2)7-10/h4-5,8H,3,6-7H2,1-2H3/b11-8+
InChIKeyYUWLZJIFCMRGKJ-DHZHZOJOSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine

1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine (PubChem CID 142957690) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine.

Molecular Properties

Compound Name1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine
PubChem CID142957690
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine
SMILESCCC/N=C/C1=CC=C(C)C1
InChIInChI=1S/C10H15N/c1-3-6-11-8-10-5-4-9(2)7-10/h4-5,8H,3,6-7H2,1-2H3/b11-8+
InChIKeyYUWLZJIFCMRGKJ-DHZHZOJOSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
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

(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine
CID 123246607
N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597
2,4-bis(propyliminomethyl)benzene-1,3,5-triol
CID 137225203
1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine
CID 143375200
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
1-(5-methyl-1H-imidazol-4-yl)-N-propylmethanimine
CID 136819197
1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene
CID 142890405
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
sodium 2-(propyliminomethyl)phenolate
CID 102119842
1-(1H-imidazol-5-yl)-N-propylmethanimine
CID 135966105
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
(E)-3-(4-methylcyclopenta-1,3-dien-1-yl)prop-2-enoyl azide
CID 121403802

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine?
The IUPAC name of 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine (CID 142957690) is 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine.
What is the SMILES notation for 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine?
The canonical SMILES for 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine is CCC/N=C/C1=CC=C(C)C1.
What is the InChIKey of 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine?
The InChIKey is YUWLZJIFCMRGKJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15N/c1-3-6-11-8-10-5-4-9(2)7-10/h4-5,8H,3,6-7H2,1-2H3/b11-8+.
What are the key properties of 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine?
1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine is sourced from PubChem (CID 142957690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).