N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine

C10H17NO — CID 62311153

IUPACN-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine
SMILESCC#CCNCCC1CCCO1
InChIInChI=1S/C10H17NO/c1-2-3-7-11-8-6-10-5-4-9-12-10/h10-11H,4-9H2,1H3
InChIKeyKTOSUAJLGFAXGB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.17
Rot. Bonds4

About N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine

N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine (PubChem CID 62311153) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine
PubChem CID62311153
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine
SMILESCC#CCNCCC1CCCO1
InChIInChI=1S/C10H17NO/c1-2-3-7-11-8-6-10-5-4-9-12-10/h10-11H,4-9H2,1H3
InChIKeyKTOSUAJLGFAXGB-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114472115
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-2-en-1-amine
CID 106546965
N-methyl-2-[2-(oxolan-2-yl)ethylamino]acetamide
CID 61039623
N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine
CID 105416779
3-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66004196

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine (CID 62311153) is N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine is CC#CCNCCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine?
The InChIKey is KTOSUAJLGFAXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-7-11-8-6-10-5-4-9-12-10/h10-11H,4-9H2,1H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine?
N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine is sourced from PubChem (CID 62311153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).