N,N,5-trimethylhept-5-en-3-yn-1-amine

C10H17N — CID 123168389

IUPACN,N,5-trimethylhept-5-en-3-yn-1-amine
SMILESCC=C(C)C#CCCN(C)C
InChIInChI=1S/C10H17N/c1-5-10(2)8-6-7-9-11(3)4/h5H,7,9H2,1-4H3
InChIKeyOCFDPRVKSBYHLH-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.91
Rot. Bonds2

About N,N,5-trimethylhept-5-en-3-yn-1-amine

N,N,5-trimethylhept-5-en-3-yn-1-amine (PubChem CID 123168389) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N,N,5-trimethylhept-5-en-3-yn-1-amine.

Molecular Properties

Compound NameN,N,5-trimethylhept-5-en-3-yn-1-amine
PubChem CID123168389
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN,N,5-trimethylhept-5-en-3-yn-1-amine
SMILESCC=C(C)C#CCCN(C)C
InChIInChI=1S/C10H17N/c1-5-10(2)8-6-7-9-11(3)4/h5H,7,9H2,1-4H3
InChIKeyOCFDPRVKSBYHLH-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethylhept-5-en-3-yn-1-amine?
The IUPAC name of N,N,5-trimethylhept-5-en-3-yn-1-amine (CID 123168389) is N,N,5-trimethylhept-5-en-3-yn-1-amine.
What is the SMILES notation for N,N,5-trimethylhept-5-en-3-yn-1-amine?
The canonical SMILES for N,N,5-trimethylhept-5-en-3-yn-1-amine is CC=C(C)C#CCCN(C)C.
What is the InChIKey of N,N,5-trimethylhept-5-en-3-yn-1-amine?
The InChIKey is OCFDPRVKSBYHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-10(2)8-6-7-9-11(3)4/h5H,7,9H2,1-4H3.
What are the key properties of N,N,5-trimethylhept-5-en-3-yn-1-amine?
N,N,5-trimethylhept-5-en-3-yn-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethylhept-5-en-3-yn-1-amine is sourced from PubChem (CID 123168389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).