N-prop-2-ynyloxolan-3-amine

C7H11NO — CID 63331554

IUPACN-prop-2-ynyloxolan-3-amine
SMILESC#CCNC1CCOC1
InChIInChI=1S/C7H11NO/c1-2-4-8-7-3-5-9-6-7/h1,7-8H,3-6H2
InChIKeyZAXXPESMLYYBCM-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.00
Rot. Bonds2

About N-prop-2-ynyloxolan-3-amine

N-prop-2-ynyloxolan-3-amine (PubChem CID 63331554) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-prop-2-ynyloxolan-3-amine.

Molecular Properties

Compound NameN-prop-2-ynyloxolan-3-amine
PubChem CID63331554
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-prop-2-ynyloxolan-3-amine
SMILESC#CCNC1CCOC1
InChIInChI=1S/C7H11NO/c1-2-4-8-7-3-5-9-6-7/h1,7-8H,3-6H2
InChIKeyZAXXPESMLYYBCM-UHFFFAOYSA-N
XLogP-0.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.00
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-methyloxolan-3-amine
CID 22225706
N-methyltetrahydrofuran-3-amine hydrochloride
CID 53404832
(3R)-N-methyloxolan-3-amine hydrochloride
CID 55264568
N-ethyloxolan-3-amine
CID 59535381
N-ethyloxolan-3-amine hydrochloride
CID 76220685
N-(oxetan-3-yl)oxolan-3-amine
CID 80120942
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
4-fluoro-N-propyloxolan-3-amine
CID 156305340
(3R,4R)-N-ethyl-4-fluorooxolan-3-amine
CID 177317200
N-(2-fluoroethyl)oxolan-3-amine
CID 80713592
N-(3-fluoropropyl)oxolan-3-amine
CID 81106710
(3R,4S)-4-fluoro-N-propyloxolan-3-amine
CID 126847868

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyloxolan-3-amine?
The IUPAC name of N-prop-2-ynyloxolan-3-amine (CID 63331554) is N-prop-2-ynyloxolan-3-amine.
What is the SMILES notation for N-prop-2-ynyloxolan-3-amine?
The canonical SMILES for N-prop-2-ynyloxolan-3-amine is C#CCNC1CCOC1.
What is the InChIKey of N-prop-2-ynyloxolan-3-amine?
The InChIKey is ZAXXPESMLYYBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-4-8-7-3-5-9-6-7/h1,7-8H,3-6H2.
What are the key properties of N-prop-2-ynyloxolan-3-amine?
N-prop-2-ynyloxolan-3-amine has a molecular weight of 125.17 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyloxolan-3-amine is sourced from PubChem (CID 63331554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).