N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine

C12H21NO — CID 103987258

IUPACN-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine
SMILESC#CCCC(CC1CCOC1)NCC
InChIInChI=1S/C12H21NO/c1-3-5-6-12(13-4-2)9-11-7-8-14-10-11/h1,11-13H,4-10H2,2H3
InChIKeyFLBZLSCJDIAYTI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds6

About N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine

N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine (PubChem CID 103987258) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine
PubChem CID103987258
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine
SMILESC#CCCC(CC1CCOC1)NCC
InChIInChI=1S/C12H21NO/c1-3-5-6-12(13-4-2)9-11-7-8-14-10-11/h1,11-13H,4-10H2,2H3
InChIKeyFLBZLSCJDIAYTI-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
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-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
1-cyclopentyl-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987304
N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103987176
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
N-ethylhexadec-1-yn-5-amine
CID 115859541
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
N-(oxolan-3-ylmethyl)hex-1-yn-3-amine
CID 106226251

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine (CID 103987258) is N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine is C#CCCC(CC1CCOC1)NCC.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine?
The InChIKey is FLBZLSCJDIAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-12(13-4-2)9-11-7-8-14-10-11/h1,11-13H,4-10H2,2H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine?
N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine is sourced from PubChem (CID 103987258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).