N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine

C14H25NO — CID 104807453

IUPACN-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
SMILESCC#CCCC(CC1CCCCO1)NCC
InChIInChI=1S/C14H25NO/c1-3-5-6-9-13(15-4-2)12-14-10-7-8-11-16-14/h13-15H,4,6-12H2,1-2H3
InChIKeyHVSCWAASXJRAMW-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.73
Rot. Bonds6

About N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine

N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine (PubChem CID 104807453) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
PubChem CID104807453
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
SMILESCC#CCCC(CC1CCCCO1)NCC
InChIInChI=1S/C14H25NO/c1-3-5-6-9-13(15-4-2)12-14-10-7-8-11-16-14/h13-15H,4,6-12H2,1-2H3
InChIKeyHVSCWAASXJRAMW-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.73
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
N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
CID 114856946
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
CID 62602456
1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine
CID 62312178
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
1-cycloheptyl-N-propylhept-5-yn-2-amine
CID 105037098
N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine
CID 63657522
5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
CID 114475869
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine?
The IUPAC name of N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine (CID 104807453) is N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine.
What is the SMILES notation for N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine?
The canonical SMILES for N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine is CC#CCCC(CC1CCCCO1)NCC.
What is the InChIKey of N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine?
The InChIKey is HVSCWAASXJRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-6-9-13(15-4-2)12-14-10-7-8-11-16-14/h13-15H,4,6-12H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine?
N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine is sourced from PubChem (CID 104807453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).