N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine

C15H31N — CID 126575397

IUPACN-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine
SMILESC=C(CC(C)(C)C)NC(C)(C)CCC(C)C
InChIInChI=1S/C15H31N/c1-12(2)9-10-15(7,8)16-13(3)11-14(4,5)6/h12,16H,3,9-11H2,1-2,4-8H3
InChIKeyLLHYJAKSVHLRNM-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.74
Rot. Bonds6

About N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine

N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine (PubChem CID 126575397) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine
PubChem CID126575397
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine
SMILESC=C(CC(C)(C)C)NC(C)(C)CCC(C)C
InChIInChI=1S/C15H31N/c1-12(2)9-10-15(7,8)16-13(3)11-14(4,5)6/h12,16H,3,9-11H2,1-2,4-8H3
InChIKeyLLHYJAKSVHLRNM-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine (CID 126575397) is N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine is C=C(CC(C)(C)C)NC(C)(C)CCC(C)C.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine?
The InChIKey is LLHYJAKSVHLRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)9-10-15(7,8)16-13(3)11-14(4,5)6/h12,16H,3,9-11H2,1-2,4-8H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine?
N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine is sourced from PubChem (CID 126575397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).