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

C8H13N — CID 45087173

IUPACN,N-dimethylhex-5-en-1-yn-3-amine
SMILESC#CC(CC=C)N(C)C
InChIInChI=1S/C8H13N/c1-5-7-8(6-2)9(3)4/h2,5,8H,1,7H2,3-4H3
InChIKeyLKSLKBCWFQQHQM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.13
Rot. Bonds3

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

N,N-dimethylhex-5-en-1-yn-3-amine (PubChem CID 45087173) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,N-dimethylhex-5-en-1-yn-3-amine.

Molecular Properties

Compound NameN,N-dimethylhex-5-en-1-yn-3-amine
PubChem CID45087173
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,N-dimethylhex-5-en-1-yn-3-amine
SMILESC#CC(CC=C)N(C)C
InChIInChI=1S/C8H13N/c1-5-7-8(6-2)9(3)4/h2,5,8H,1,7H2,3-4H3
InChIKeyLKSLKBCWFQQHQM-UHFFFAOYSA-N
XLogP1.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-methoxyhex-1-en-5-yne
CID 10796716
1-N,1-N,2-N,2-N-tetramethylpent-4-ene-1,2-diamine
CID 145347073
1-bromo-N,N-dimethylhex-5-en-3-amine
CID 88601694
3-N,3-N-dimethylhex-5-ene-1,3-diamine
CID 87074898
3-(dimethylamino)undec-1-yn-5-one
CID 21312638
1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine
CID 141400961
1-hex-5-en-1-yn-3-yl-4-methylbenzene
CID 46854118
N,N-dimethyl-2-propan-2-ylpent-4-en-1-amine
CID 146560715
8-methyldeca-1,5-dien-9-yne
CID 123619930
4-(dimethylamino)-2-methylhept-6-en-3-one
CID 10821021
(4S)-4-iodopent-1-ene
CID 88562936
4-iodopent-1-ene
CID 13244562

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhex-5-en-1-yn-3-amine?
The IUPAC name of N,N-dimethylhex-5-en-1-yn-3-amine (CID 45087173) is N,N-dimethylhex-5-en-1-yn-3-amine.
What is the SMILES notation for N,N-dimethylhex-5-en-1-yn-3-amine?
The canonical SMILES for N,N-dimethylhex-5-en-1-yn-3-amine is C#CC(CC=C)N(C)C.
What is the InChIKey of N,N-dimethylhex-5-en-1-yn-3-amine?
The InChIKey is LKSLKBCWFQQHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-5-7-8(6-2)9(3)4/h2,5,8H,1,7H2,3-4H3.
What are the key properties of N,N-dimethylhex-5-en-1-yn-3-amine?
N,N-dimethylhex-5-en-1-yn-3-amine has a molecular weight of 123.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhex-5-en-1-yn-3-amine is sourced from PubChem (CID 45087173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).