N-(2-propoxyethyl)pent-4-yn-2-amine

C10H19NO — CID 106452525

IUPACN-(2-propoxyethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NCCOCCC
InChIInChI=1S/C10H19NO/c1-4-6-10(3)11-7-9-12-8-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyRXWAEYZVCDOAOL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds7

About N-(2-propoxyethyl)pent-4-yn-2-amine

N-(2-propoxyethyl)pent-4-yn-2-amine (PubChem CID 106452525) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-propoxyethyl)pent-4-yn-2-amine.

Molecular Properties

Compound NameN-(2-propoxyethyl)pent-4-yn-2-amine
PubChem CID106452525
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2-propoxyethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NCCOCCC
InChIInChI=1S/C10H19NO/c1-4-6-10(3)11-7-9-12-8-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyRXWAEYZVCDOAOL-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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-butylpent-4-yn-2-amine;ethane
CID 144551076
1-N,1-N-dimethyl-2-N-(2-propoxyethyl)propane-1,2-diamine
CID 106452397
N-ethylpent-4-yn-2-amine
CID 62233889
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
3-(2-propoxyethylamino)butanamide
CID 106452583
N-(3-propoxypropyl)butan-2-amine
CID 62715458
N-(2-but-3-ynoxyethyl)propan-2-amine
CID 62342205
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788
N-[2-(3-methylbutoxy)ethyl]hex-1-yn-3-amine
CID 106229882
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile
CID 62499588

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)pent-4-yn-2-amine?
The IUPAC name of N-(2-propoxyethyl)pent-4-yn-2-amine (CID 106452525) is N-(2-propoxyethyl)pent-4-yn-2-amine.
What is the SMILES notation for N-(2-propoxyethyl)pent-4-yn-2-amine?
The canonical SMILES for N-(2-propoxyethyl)pent-4-yn-2-amine is C#CCC(C)NCCOCCC.
What is the InChIKey of N-(2-propoxyethyl)pent-4-yn-2-amine?
The InChIKey is RXWAEYZVCDOAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-10(3)11-7-9-12-8-5-2/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-(2-propoxyethyl)pent-4-yn-2-amine?
N-(2-propoxyethyl)pent-4-yn-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)pent-4-yn-2-amine is sourced from PubChem (CID 106452525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).