N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine

C15H27N — CID 139315734

IUPACN-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine
SMILESC=C(/N=C(\C=C(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11(2)10-13(15(7,8)9)16-12(3)14(4,5)6/h10H,3H2,1-2,4-9H3/b16-13+
InChIKeyQSZHARXIOFFGKC-DTQAZKPQSA-N
MW221.39 g/mol
LogP5.00
Rot. Bonds2

About N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine

N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine (PubChem CID 139315734) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine
PubChem CID139315734
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine
SMILESC=C(/N=C(\C=C(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11(2)10-13(15(7,8)9)16-12(3)14(4,5)6/h10H,3H2,1-2,4-9H3/b16-13+
InChIKeyQSZHARXIOFFGKC-DTQAZKPQSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine (CID 139315734) is N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine is C=C(/N=C(\C=C(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine?
The InChIKey is QSZHARXIOFFGKC-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)10-13(15(7,8)9)16-12(3)14(4,5)6/h10H,3H2,1-2,4-9H3/b16-13+.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine?
N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine has a molecular weight of 221.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine is sourced from PubChem (CID 139315734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).