N-(2-butylphenyl)butan-2-imine

C14H21N — CID 142019981

IUPACN-(2-butylphenyl)butan-2-imine
SMILESCCCCc1ccccc1/N=C(\C)CC
InChIInChI=1S/C14H21N/c1-4-6-9-13-10-7-8-11-14(13)15-12(3)5-2/h7-8,10-11H,4-6,9H2,1-3H3/b15-12+
InChIKeyCRUDGXBLPSFNTI-NTCAYCPXSA-N
MW203.33 g/mol
LogP4.53
Rot. Bonds5

About N-(2-butylphenyl)butan-2-imine

N-(2-butylphenyl)butan-2-imine (PubChem CID 142019981) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2-butylphenyl)butan-2-imine.

Molecular Properties

Compound NameN-(2-butylphenyl)butan-2-imine
PubChem CID142019981
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(2-butylphenyl)butan-2-imine
SMILESCCCCc1ccccc1/N=C(\C)CC
InChIInChI=1S/C14H21N/c1-4-6-9-13-10-7-8-11-14(13)15-12(3)5-2/h7-8,10-11H,4-6,9H2,1-3H3/b15-12+
InChIKeyCRUDGXBLPSFNTI-NTCAYCPXSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.53
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'-(2-propylphenyl)propanimidamide
CID 63177634
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579
CID 159940559
CID 159940559
3-N,4-N-bis(2-oct-4-ynylphenyl)octane-3,4-diimine
CID 21033739
3,3-dimethyl-N-(2-propylphenyl)butan-2-imine
CID 174269518
5-N,6-N-bis(2-tridec-4-enylphenyl)decane-5,6-diimine;nickel
CID 87910797
5-N,6-N-bis(2-octacos-4-ynylphenyl)undecane-5,6-diimine
CID 87876706
2-butylbenzenethiol;trihydrofluoride
CID 173024842
(2-pentylphenyl)-phenyldiazene
CID 90460821
5-N,6-N-bis(2-octadec-4-ynylphenyl)dodecane-5,6-diimine;nickel
CID 87876009
5-N,6-N-bis(2-octacos-4-ynylphenyl)undecane-5,6-diimine;nickel
CID 87876705
5-N,6-N-bis(2-hexadec-4-enylphenyl)undecane-5,6-diimine;nickel
CID 87876442

Frequently Asked Questions

What is the IUPAC name of N-(2-butylphenyl)butan-2-imine?
The IUPAC name of N-(2-butylphenyl)butan-2-imine (CID 142019981) is N-(2-butylphenyl)butan-2-imine.
What is the SMILES notation for N-(2-butylphenyl)butan-2-imine?
The canonical SMILES for N-(2-butylphenyl)butan-2-imine is CCCCc1ccccc1/N=C(\C)CC.
What is the InChIKey of N-(2-butylphenyl)butan-2-imine?
The InChIKey is CRUDGXBLPSFNTI-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21N/c1-4-6-9-13-10-7-8-11-14(13)15-12(3)5-2/h7-8,10-11H,4-6,9H2,1-3H3/b15-12+.
What are the key properties of N-(2-butylphenyl)butan-2-imine?
N-(2-butylphenyl)butan-2-imine has a molecular weight of 203.33 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylphenyl)butan-2-imine is sourced from PubChem (CID 142019981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).