N-pentyl-1-phenylmethanimine

C12H17N — CID 525559

IUPACN-pentyl-1-phenylmethanimine
SMILESCCCCC/N=C/c1ccccc1
InChIInChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3/b13-11+
InChIKeyNNTVKFAXDYRERB-ACCUITESSA-N
MW175.28 g/mol
LogP3.30
Rot. Bonds5

About N-pentyl-1-phenylmethanimine

N-pentyl-1-phenylmethanimine (PubChem CID 525559) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-pentyl-1-phenylmethanimine.

Molecular Properties

Compound NameN-pentyl-1-phenylmethanimine
PubChem CID525559
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-pentyl-1-phenylmethanimine
SMILESCCCCC/N=C/c1ccccc1
InChIInChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3/b13-11+
InChIKeyNNTVKFAXDYRERB-ACCUITESSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.30
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

N-tert-Butyl-alpha-phenylnitrone
CID 638877
N-Benzylidenecyclohexylamine
CID 75167
Benzaldehyde azine
CID 5324610
Benzalazine
CID 92130
6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
3,4-Dihydroisoquinoline
CID 76705
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
N-Benzylidenebenzylamine
CID 95831
Ethanamine, N-(phenylmethylene)-
CID 111239
N-benzylidene-2-phenylethanamine
CID 576350

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-phenylmethanimine?
The IUPAC name of N-pentyl-1-phenylmethanimine (CID 525559) is N-pentyl-1-phenylmethanimine.
What is the SMILES notation for N-pentyl-1-phenylmethanimine?
The canonical SMILES for N-pentyl-1-phenylmethanimine is CCCCC/N=C/c1ccccc1.
What is the InChIKey of N-pentyl-1-phenylmethanimine?
The InChIKey is NNTVKFAXDYRERB-ACCUITESSA-N. The full InChI is InChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3/b13-11+.
What are the key properties of N-pentyl-1-phenylmethanimine?
N-pentyl-1-phenylmethanimine has a molecular weight of 175.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-phenylmethanimine is sourced from PubChem (CID 525559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).