N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine

C12H21NO — CID 80684750

IUPACN-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1(C)CCCCO1
InChIInChI=1S/C12H21NO/c1-4-5-8-11(13-3)12(2)9-6-7-10-14-12/h11,13H,6-10H2,1-3H3
InChIKeyLRPAGQGFYYDFKI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine

N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine (PubChem CID 80684750) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine
PubChem CID80684750
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1(C)CCCCO1
InChIInChI=1S/C12H21NO/c1-4-5-8-11(13-3)12(2)9-6-7-10-14-12/h11,13H,6-10H2,1-3H3
InChIKeyLRPAGQGFYYDFKI-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine (CID 80684750) is N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine is CC#CCC(NC)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine?
The InChIKey is LRPAGQGFYYDFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-8-11(13-3)12(2)9-6-7-10-14-12/h11,13H,6-10H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine?
N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine is sourced from PubChem (CID 80684750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).