6-methylhept-4-yn-1-amine

C8H15N — CID 21391829

IUPAC6-methylhept-4-yn-1-amine
SMILESCC(C)C#CCCCN
InChIInChI=1S/C8H15N/c1-8(2)6-4-3-5-7-9/h8H,3,5,7,9H2,1-2H3
InChIKeyZDYNYNBHUDGWNK-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.38
Rot. Bonds2

About 6-methylhept-4-yn-1-amine

6-methylhept-4-yn-1-amine (PubChem CID 21391829) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 6-methylhept-4-yn-1-amine.

Molecular Properties

Compound Name6-methylhept-4-yn-1-amine
PubChem CID21391829
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name6-methylhept-4-yn-1-amine
SMILESCC(C)C#CCCCN
InChIInChI=1S/C8H15N/c1-8(2)6-4-3-5-7-9/h8H,3,5,7,9H2,1-2H3
InChIKeyZDYNYNBHUDGWNK-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.38
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

9-methyl-N-propan-2-yldec-7-yn-1-amine
CID 170673540
(7S)-oct-4-yne-1,7-diamine
CID 55285298
2,8,9-trimethyldec-3-yne
CID 159280610
9-methyldec-7-yn-2-one
CID 133056852
dodec-4-yn-1-amine
CID 15707491
6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen
CID 155740482
2-methyl-7-(5-methylhexoxy)hept-3-yne
CID 159032312
7-methyloct-1-en-5-yne
CID 174059005
6-bromohex-4-yn-1-amine
CID 176944290
(7R)-2,7,9-trimethyldec-3-yne
CID 159280614
non-3-yn-2-amine
CID 85230211
4,9-dimethyldeca-2,7-diyne
CID 173015468

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-4-yn-1-amine?
The IUPAC name of 6-methylhept-4-yn-1-amine (CID 21391829) is 6-methylhept-4-yn-1-amine.
What is the SMILES notation for 6-methylhept-4-yn-1-amine?
The canonical SMILES for 6-methylhept-4-yn-1-amine is CC(C)C#CCCCN.
What is the InChIKey of 6-methylhept-4-yn-1-amine?
The InChIKey is ZDYNYNBHUDGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)6-4-3-5-7-9/h8H,3,5,7,9H2,1-2H3.
What are the key properties of 6-methylhept-4-yn-1-amine?
6-methylhept-4-yn-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-4-yn-1-amine is sourced from PubChem (CID 21391829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).