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

C11H19NO — CID 130758121

IUPACN-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine
SMILESCC#CCNC(C)C1(C)CCCO1
InChIInChI=1S/C11H19NO/c1-4-5-8-12-10(2)11(3)7-6-9-13-11/h10,12H,6-9H2,1-3H3
InChIKeyIARYDNIPFJWQNV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds3

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

N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine (PubChem CID 130758121) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine
PubChem CID130758121
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine
SMILESCC#CCNC(C)C1(C)CCCO1
InChIInChI=1S/C11H19NO/c1-4-5-8-12-10(2)11(3)7-6-9-13-11/h10,12H,6-9H2,1-3H3
InChIKeyIARYDNIPFJWQNV-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.56
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-(2-methyloxan-2-yl)pent-3-yn-1-amine
CID 80684750
1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 136544929
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
(1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine
CID 124844434
N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine
CID 119052551
2-methyl-N-propan-2-yloxolan-2-amine
CID 23268712
N-methyl-2-propan-2-yloxolan-2-amine
CID 129253731
1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine
CID 106829876
N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine
CID 80683659
N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine
CID 80683840
2-methyl-2-propan-2-yl-1,4-oxazepane
CID 114494521
[cyclopentyl-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250716

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine?
The IUPAC name of N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine (CID 130758121) is N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine.
What is the SMILES notation for N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine?
The canonical SMILES for N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine is CC#CCNC(C)C1(C)CCCO1.
What is the InChIKey of N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine?
The InChIKey is IARYDNIPFJWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-8-12-10(2)11(3)7-6-9-13-11/h10,12H,6-9H2,1-3H3.
What are the key properties of N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine?
N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyloxolan-2-yl)ethyl]but-2-yn-1-amine is sourced from PubChem (CID 130758121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).