N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine

C17H29N — CID 167252809

IUPACN-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine
SMILESC=C(/N=C(/C1=C(C)CCC1)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H29N/c1-12-10-9-11-14(12)15(17(6,7)8)18-13(2)16(3,4)5/h2,9-11H2,1,3-8H3/b18-15-
InChIKeyPHGJWUMRYRNECC-SDXDJHTJSA-N
MW247.43 g/mol
LogP5.53
Rot. Bonds2

About N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine

N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine (PubChem CID 167252809) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine
PubChem CID167252809
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine
SMILESC=C(/N=C(/C1=C(C)CCC1)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H29N/c1-12-10-9-11-14(12)15(17(6,7)8)18-13(2)16(3,4)5/h2,9-11H2,1,3-8H3/b18-15-
InChIKeyPHGJWUMRYRNECC-SDXDJHTJSA-N
XLogP5.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.53
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-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine (CID 167252809) is N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine is C=C(/N=C(/C1=C(C)CCC1)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine?
The InChIKey is PHGJWUMRYRNECC-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H29N/c1-12-10-9-11-14(12)15(17(6,7)8)18-13(2)16(3,4)5/h2,9-11H2,1,3-8H3/b18-15-.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine?
N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.53, 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-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine is sourced from PubChem (CID 167252809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).