N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine

C15H29N — CID 174005888

IUPACN-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine
SMILESC=C(C[C@@H](C)/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29N/c1-11(14(4,5)6)10-12(2)16-13(3)15(7,8)9/h12H,1,10H2,2-9H3/b16-13+/t12-/m1/s1
InChIKeyONDUESFYGTZTKN-SIOXIVGBSA-N
MW223.40 g/mol
LogP4.87
Rot. Bonds3

About N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine

N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine (PubChem CID 174005888) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound NameN-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine
PubChem CID174005888
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine
SMILESC=C(C[C@@H](C)/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29N/c1-11(14(4,5)6)10-12(2)16-13(3)15(7,8)9/h12H,1,10H2,2-9H3/b16-13+/t12-/m1/s1
InChIKeyONDUESFYGTZTKN-SIOXIVGBSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine?
The IUPAC name of N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine (CID 174005888) is N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine.
What is the SMILES notation for N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine?
The canonical SMILES for N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine is C=C(C[C@@H](C)/N=C(\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine?
The InChIKey is ONDUESFYGTZTKN-SIOXIVGBSA-N. The full InChI is InChI=1S/C15H29N/c1-11(14(4,5)6)10-12(2)16-13(3)15(7,8)9/h12H,1,10H2,2-9H3/b16-13+/t12-/m1/s1.
What are the key properties of N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine?
N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine has a molecular weight of 223.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 174005888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).