N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine

C14H29N — CID 130193024

IUPACN-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine
SMILESC=C(NCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29N/c1-12(14(5,6)7)15-11-9-8-10-13(2,3)4/h15H,1,8-11H2,2-7H3
InChIKeyWIWJZZUXDVPKEU-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.35
Rot. Bonds5

About N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine

N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine (PubChem CID 130193024) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine
PubChem CID130193024
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine
SMILESC=C(NCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29N/c1-12(14(5,6)7)15-11-9-8-10-13(2,3)4/h15H,1,8-11H2,2-7H3
InChIKeyWIWJZZUXDVPKEU-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine (CID 130193024) is N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine is C=C(NCCCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine?
The InChIKey is WIWJZZUXDVPKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12(14(5,6)7)15-11-9-8-10-13(2,3)4/h15H,1,8-11H2,2-7H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine?
N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 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)-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 130193024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).