N,6-dimethylhept-2-yn-4-amine

C9H17N — CID 170388356

IUPACN,6-dimethylhept-2-yn-4-amine
SMILESCC#CC(CC(C)C)NC
InChIInChI=1S/C9H17N/c1-5-6-9(10-4)7-8(2)3/h8-10H,7H2,1-4H3
InChIKeyCNRQOOVLYWONCI-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.64
Rot. Bonds3

About N,6-dimethylhept-2-yn-4-amine

N,6-dimethylhept-2-yn-4-amine (PubChem CID 170388356) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,6-dimethylhept-2-yn-4-amine.

Molecular Properties

Compound NameN,6-dimethylhept-2-yn-4-amine
PubChem CID170388356
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,6-dimethylhept-2-yn-4-amine
SMILESCC#CC(CC(C)C)NC
InChIInChI=1S/C9H17N/c1-5-6-9(10-4)7-8(2)3/h8-10H,7H2,1-4H3
InChIKeyCNRQOOVLYWONCI-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
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,6-dimethylhept-2-yn-4-amine?
The IUPAC name of N,6-dimethylhept-2-yn-4-amine (CID 170388356) is N,6-dimethylhept-2-yn-4-amine.
What is the SMILES notation for N,6-dimethylhept-2-yn-4-amine?
The canonical SMILES for N,6-dimethylhept-2-yn-4-amine is CC#CC(CC(C)C)NC.
What is the InChIKey of N,6-dimethylhept-2-yn-4-amine?
The InChIKey is CNRQOOVLYWONCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-9(10-4)7-8(2)3/h8-10H,7H2,1-4H3.
What are the key properties of N,6-dimethylhept-2-yn-4-amine?
N,6-dimethylhept-2-yn-4-amine has a molecular weight of 139.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhept-2-yn-4-amine is sourced from PubChem (CID 170388356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).