N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine

C10H18N2 — CID 13283837

IUPACN-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine
SMILESCC(C)(C)/N=C/N1C=CCCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)11-9-12-7-5-4-6-8-12/h5,7,9H,4,6,8H2,1-3H3/b11-9+
InChIKeyBABAZWDYBOQWEH-PKNBQFBNSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds1

About N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine

N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine (PubChem CID 13283837) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine
PubChem CID13283837
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine
SMILESCC(C)(C)/N=C/N1C=CCCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)11-9-12-7-5-4-6-8-12/h5,7,9H,4,6,8H2,1-3H3/b11-9+
InChIKeyBABAZWDYBOQWEH-PKNBQFBNSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-1,7,7-trimethyl-8-methylidene-6H-1,3-diazocine
CID 57786281
1-butyl-3-methyl-4H-pyrimidin-3-ium
CID 67366918
1-tert-butyl-4H-pyrimidine
CID 67682829
N-but-1-enyl-N,N'-di(propan-2-yl)methanimidamide
CID 87690615
4-ethyl-3-methyl-4H-pyrimidine
CID 89750424
N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide
CID 90779514
4-tert-butyl-3-methyl-4H-pyrimidine
CID 117837438
4-tert-butyl-1-propyl-4H-pyrimidine
CID 117837505
1-Ethyl-1,4,4-trimethylpyrimidin-1-ium
CID 123853967
(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine
CID 130445132
3,4-diethyl-4H-pyrimidine
CID 137444867
3-methyl-4-propan-2-yl-4H-pyrimidine
CID 137444869

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine (CID 13283837) is N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine is CC(C)(C)/N=C/N1C=CCCC1.
What is the InChIKey of N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine?
The InChIKey is BABAZWDYBOQWEH-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)11-9-12-7-5-4-6-8-12/h5,7,9H,4,6,8H2,1-3H3/b11-9+.
What are the key properties of N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine?
N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3,4-dihydro-2H-pyridin-1-yl)methanimine is sourced from PubChem (CID 13283837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).