N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine

C11H19NO — CID 63657522

IUPACN-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine
SMILESC#CCCC(CC1CCCO1)NC
InChIInChI=1S/C11H19NO/c1-3-4-6-10(12-2)9-11-7-5-8-13-11/h1,10-12H,4-9H2,2H3
InChIKeyUCLRUJXDGAAIRX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine

N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine (PubChem CID 63657522) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine
PubChem CID63657522
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine
SMILESC#CCCC(CC1CCCO1)NC
InChIInChI=1S/C11H19NO/c1-3-4-6-10(12-2)9-11-7-5-8-13-11/h1,10-12H,4-9H2,2H3
InChIKeyUCLRUJXDGAAIRX-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine
CID 104807451
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1-cyclopentyl-N-methyl-3-(oxolan-2-yl)propan-2-amine
CID 62602079
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
1-cyclopentyl-N-methylhept-6-yn-3-amine
CID 115859347
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
CID 104807453
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine (CID 63657522) is N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine is C#CCCC(CC1CCCO1)NC.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine?
The InChIKey is UCLRUJXDGAAIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-6-10(12-2)9-11-7-5-8-13-11/h1,10-12H,4-9H2,2H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine?
N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine is sourced from PubChem (CID 63657522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).