heptane;propan-2-imine

C10H23N — CID 142132555

IUPACheptane;propan-2-imine
SMILESCCCCCCC.[H]N=C(C)C
InChIInChI=1S/C7H16.C3H7N/c1-3-5-7-6-4-2;1-3(2)4/h3-7H2,1-2H3;4H,1-2H3
InChIKeyZCIZSAYRFKKGCZ-UHFFFAOYSA-N
MW157.30 g/mol
LogP4.02
Rot. Bonds4

About heptane;propan-2-imine

heptane;propan-2-imine (PubChem CID 142132555) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is heptane;propan-2-imine.

Molecular Properties

Compound Nameheptane;propan-2-imine
PubChem CID142132555
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameheptane;propan-2-imine
SMILESCCCCCCC.[H]N=C(C)C
InChIInChI=1S/C7H16.C3H7N/c1-3-5-7-6-4-2;1-3(2)4/h3-7H2,1-2H3;4H,1-2H3
InChIKeyZCIZSAYRFKKGCZ-UHFFFAOYSA-N
XLogP4.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
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

2,3-dimethylbut-2-ene;heptane
CID 20510833
methanol;undecane
CID 161373911
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of heptane;propan-2-imine?
The IUPAC name of heptane;propan-2-imine (CID 142132555) is heptane;propan-2-imine.
What is the SMILES notation for heptane;propan-2-imine?
The canonical SMILES for heptane;propan-2-imine is CCCCCCC.[H]N=C(C)C.
What is the InChIKey of heptane;propan-2-imine?
The InChIKey is ZCIZSAYRFKKGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C3H7N/c1-3-5-7-6-4-2;1-3(2)4/h3-7H2,1-2H3;4H,1-2H3.
What are the key properties of heptane;propan-2-imine?
heptane;propan-2-imine has a molecular weight of 157.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;propan-2-imine is sourced from PubChem (CID 142132555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).