2,3-dimethyloct-6-yn-1-amine

C10H19N — CID 104813748

IUPAC2,3-dimethyloct-6-yn-1-amine
SMILESCC#CCCC(C)C(C)CN
InChIInChI=1S/C10H19N/c1-4-5-6-7-9(2)10(3)8-11/h9-10H,6-8,11H2,1-3H3
InChIKeyYXPAAKJWEMFBAF-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.02
Rot. Bonds4

About 2,3-dimethyloct-6-yn-1-amine

2,3-dimethyloct-6-yn-1-amine (PubChem CID 104813748) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,3-dimethyloct-6-yn-1-amine.

Molecular Properties

Compound Name2,3-dimethyloct-6-yn-1-amine
PubChem CID104813748
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,3-dimethyloct-6-yn-1-amine
SMILESCC#CCCC(C)C(C)CN
InChIInChI=1S/C10H19N/c1-4-5-6-7-9(2)10(3)8-11/h9-10H,6-8,11H2,1-3H3
InChIKeyYXPAAKJWEMFBAF-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethylnon-2-yne
CID 123813434
3-methyloct-6-yn-2-ol
CID 104810026
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
2-N-pent-3-ynylpropane-1,2-diamine
CID 116643455
7-methylnon-2-yne
CID 54177152
2-methyl-3-pent-3-ynylsulfanylpropan-1-amine
CID 104808090
non-7-yn-3-amine
CID 64503451
2-methyldec-8-yn-3-amine
CID 104811927
N,N,3-trimethyloct-6-yn-1-amine
CID 170193044
(2R)-2-aminohept-5-ynamide
CID 55284059
methyl 2-methyloct-6-ynoate
CID 102118297

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyloct-6-yn-1-amine?
The IUPAC name of 2,3-dimethyloct-6-yn-1-amine (CID 104813748) is 2,3-dimethyloct-6-yn-1-amine.
What is the SMILES notation for 2,3-dimethyloct-6-yn-1-amine?
The canonical SMILES for 2,3-dimethyloct-6-yn-1-amine is CC#CCCC(C)C(C)CN.
What is the InChIKey of 2,3-dimethyloct-6-yn-1-amine?
The InChIKey is YXPAAKJWEMFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-6-7-9(2)10(3)8-11/h9-10H,6-8,11H2,1-3H3.
What are the key properties of 2,3-dimethyloct-6-yn-1-amine?
2,3-dimethyloct-6-yn-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyloct-6-yn-1-amine is sourced from PubChem (CID 104813748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).