N,3,3-trimethylnon-8-yn-4-amine

C12H23N — CID 105033729

IUPACN,3,3-trimethylnon-8-yn-4-amine
SMILESC#CCCCC(NC)C(C)(C)CC
InChIInChI=1S/C12H23N/c1-6-8-9-10-11(13-5)12(3,4)7-2/h1,11,13H,7-10H2,2-5H3
InChIKeyVLIBOOAEEZJNFZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds6

About N,3,3-trimethylnon-8-yn-4-amine

N,3,3-trimethylnon-8-yn-4-amine (PubChem CID 105033729) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,3,3-trimethylnon-8-yn-4-amine.

Molecular Properties

Compound NameN,3,3-trimethylnon-8-yn-4-amine
PubChem CID105033729
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,3,3-trimethylnon-8-yn-4-amine
SMILESC#CCCCC(NC)C(C)(C)CC
InChIInChI=1S/C12H23N/c1-6-8-9-10-11(13-5)12(3,4)7-2/h1,11,13H,7-10H2,2-5H3
InChIKeyVLIBOOAEEZJNFZ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-Trimethyl-n-(4-methylpent-1-yn-3-yl)hexan-1-amine
CID 221347
n,5,7,7-Tetramethyloct-1-yn-3-amine
CID 221561
(2S,6R)-4-Methyl-2-(pent-4-yn-1-yl)-6-propylpiperidine
CID 91724084
N-methyl-4-prop-2-ynylcyclohexan-1-amine
CID 57233700
N,2,2-trimethylheptan-3-amine
CID 60995576
N,2,2-trimethyloctan-3-amine
CID 60996820
N,2,2-trimethyldecan-3-amine
CID 60996821
3-ethyl-N,6,6-trimethylheptan-2-amine
CID 61481133
N,6,6-trimethylheptan-2-amine
CID 61481553
N,2,2,6,6-pentamethylheptan-3-amine
CID 62600616
N,2,2-trimethyldodecan-3-amine
CID 63400335
N-but-2-ynyl-4,4-dimethylcyclohexan-1-amine
CID 64394474

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethylnon-8-yn-4-amine?
The IUPAC name of N,3,3-trimethylnon-8-yn-4-amine (CID 105033729) is N,3,3-trimethylnon-8-yn-4-amine.
What is the SMILES notation for N,3,3-trimethylnon-8-yn-4-amine?
The canonical SMILES for N,3,3-trimethylnon-8-yn-4-amine is C#CCCCC(NC)C(C)(C)CC.
What is the InChIKey of N,3,3-trimethylnon-8-yn-4-amine?
The InChIKey is VLIBOOAEEZJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-9-10-11(13-5)12(3,4)7-2/h1,11,13H,7-10H2,2-5H3.
What are the key properties of N,3,3-trimethylnon-8-yn-4-amine?
N,3,3-trimethylnon-8-yn-4-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethylnon-8-yn-4-amine is sourced from PubChem (CID 105033729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).