N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine

C13H24N2O — CID 79051769

IUPACN,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine
SMILESC#CCCC(NC)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H24N2O/c1-5-6-7-12(14-4)13(2,3)15-8-10-16-11-9-15/h1,12,14H,6-11H2,2-4H3
InChIKeySGTYIDCKKYMNDV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds5

About N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine

N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine (PubChem CID 79051769) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine
PubChem CID79051769
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine
SMILESC#CCCC(NC)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H24N2O/c1-5-6-7-12(14-4)13(2,3)15-8-10-16-11-9-15/h1,12,14H,6-11H2,2-4H3
InChIKeySGTYIDCKKYMNDV-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-2-morpholin-4-yloct-7-yn-3-yl)hydrazine
CID 105240137
N,4-dimethyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-amine
CID 79051611
(2-methyl-2-morpholin-4-ylhexan-3-yl)hydrazine
CID 105240043
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
CID 83161902
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542
N,2,7-trimethyl-2-piperidin-1-yloctan-3-amine
CID 83161164
N,2-dimethyl-2-piperidin-1-ylheptan-3-amine
CID 79045929
1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine
CID 79050878
(2-methyl-2-morpholin-4-ylhept-5-yn-3-yl)hydrazine
CID 105240080
2-(azepan-1-yl)-N,2-dimethylhept-6-en-3-amine
CID 79050662
1-cyclopropyl-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79050729

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine?
The IUPAC name of N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine (CID 79051769) is N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine.
What is the SMILES notation for N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine?
The canonical SMILES for N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine is C#CCCC(NC)C(C)(C)N1CCOCC1.
What is the InChIKey of N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine?
The InChIKey is SGTYIDCKKYMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-6-7-12(14-4)13(2,3)15-8-10-16-11-9-15/h1,12,14H,6-11H2,2-4H3.
What are the key properties of N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine?
N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-morpholin-4-ylhept-6-yn-3-amine is sourced from PubChem (CID 79051769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).