N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine

C10H15N — CID 163616597

IUPACN-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
SMILESCCCC/N=C/C1=CC=CC1
InChIInChI=1S/C10H15N/c1-2-3-8-11-9-10-6-4-5-7-10/h4-6,9H,2-3,7-8H2,1H3/b11-9+
InChIKeyHKNMHGFHAOBXIZ-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds4

About N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine

N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine (PubChem CID 163616597) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine.

Molecular Properties

Compound NameN-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
PubChem CID163616597
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
SMILESCCCC/N=C/C1=CC=CC1
InChIInChI=1S/C10H15N/c1-2-3-8-11-9-10-6-4-5-7-10/h4-6,9H,2-3,7-8H2,1H3/b11-9+
InChIKeyHKNMHGFHAOBXIZ-PKNBQFBNSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine
CID 143375200
1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine
CID 142957690
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
1-(1H-imidazol-2-yl)-N-pentylmethanimine
CID 137270391
1-(2-bromophenyl)-N-butylmethanimine
CID 67388948
dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
CID 90998909
N-butyl-1-(3-ethoxyphenyl)methanimine
CID 584358
N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine
CID 100996603
1-nonoxycyclopenta-1,3-diene
CID 175032458
N-butylethanimine;ethane
CID 142024896
2-dodecylcyclohexa-2,4-dien-1-one
CID 67242376
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
The IUPAC name of N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine (CID 163616597) is N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine.
What is the SMILES notation for N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
The canonical SMILES for N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine is CCCC/N=C/C1=CC=CC1.
What is the InChIKey of N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
The InChIKey is HKNMHGFHAOBXIZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-8-11-9-10-6-4-5-7-10/h4-6,9H,2-3,7-8H2,1H3/b11-9+.
What are the key properties of N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine is sourced from PubChem (CID 163616597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).