ethane;3-methylheptane;propan-2-imine

C13H31N — CID 142132474

IUPACethane;3-methylheptane;propan-2-imine
SMILESCC.CCCCC(C)CC.[H]N=C(C)C
InChIInChI=1S/C8H18.C3H7N.C2H6/c1-4-6-7-8(3)5-2;1-3(2)4;1-2/h8H,4-7H2,1-3H3;4H,1-2H3;1-2H3
InChIKeyRQKJXZUJQHRZEK-UHFFFAOYSA-N
MW201.40 g/mol
LogP5.29
Rot. Bonds4

About ethane;3-methylheptane;propan-2-imine

ethane;3-methylheptane;propan-2-imine (PubChem CID 142132474) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is ethane;3-methylheptane;propan-2-imine.

Molecular Properties

Compound Nameethane;3-methylheptane;propan-2-imine
PubChem CID142132474
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Nameethane;3-methylheptane;propan-2-imine
SMILESCC.CCCCC(C)CC.[H]N=C(C)C
InChIInChI=1S/C8H18.C3H7N.C2H6/c1-4-6-7-8(3)5-2;1-3(2)4;1-2/h8H,4-7H2,1-3H3;4H,1-2H3;1-2H3
InChIKeyRQKJXZUJQHRZEK-UHFFFAOYSA-N
XLogP5.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500201.40
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;3-methylheptane;propan-2-imine 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

3-methylheptane;nickel
CID 158967838
3-methylheptane;octane
CID 144782281
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723
3,11-dimethylpentadecane
CID 58340720
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
3-methylheptane;oxotitanium
CID 174602327
(Z)-but-2-ene;3-methylheptane
CID 155572467
3-methylheptane;2-methylpentane
CID 165405793
3-methylheptane;sulfane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173302962
(3R)-3-methylhexacosane
CID 134824557
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylheptane;propan-2-imine?
The IUPAC name of ethane;3-methylheptane;propan-2-imine (CID 142132474) is ethane;3-methylheptane;propan-2-imine.
What is the SMILES notation for ethane;3-methylheptane;propan-2-imine?
The canonical SMILES for ethane;3-methylheptane;propan-2-imine is CC.CCCCC(C)CC.[H]N=C(C)C.
What is the InChIKey of ethane;3-methylheptane;propan-2-imine?
The InChIKey is RQKJXZUJQHRZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H7N.C2H6/c1-4-6-7-8(3)5-2;1-3(2)4;1-2/h8H,4-7H2,1-3H3;4H,1-2H3;1-2H3.
What are the key properties of ethane;3-methylheptane;propan-2-imine?
ethane;3-methylheptane;propan-2-imine has a molecular weight of 201.40 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylheptane;propan-2-imine is sourced from PubChem (CID 142132474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).