N-ethoxypent-4-yn-1-amine

C7H13NO — CID 115872746

IUPACN-ethoxypent-4-yn-1-amine
SMILESC#CCCCNOCC
InChIInChI=1S/C7H13NO/c1-3-5-6-7-8-9-4-2/h1,8H,4-7H2,2H3
InChIKeyAVIACKUJNZYKGD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.94
Rot. Bonds5

About N-ethoxypent-4-yn-1-amine

N-ethoxypent-4-yn-1-amine (PubChem CID 115872746) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethoxypent-4-yn-1-amine.

Molecular Properties

Compound NameN-ethoxypent-4-yn-1-amine
PubChem CID115872746
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-ethoxypent-4-yn-1-amine
SMILESC#CCCCNOCC
InChIInChI=1S/C7H13NO/c1-3-5-6-7-8-9-4-2/h1,8H,4-7H2,2H3
InChIKeyAVIACKUJNZYKGD-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethylpent-4-yn-1-amine
CID 12615597
N-methylpent-4-yn-1-amine;hydrochloride
CID 119099161
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
CID 64974363
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
CID 172706336
CID 172706336
N-prop-2-ynoxypropan-1-amine
CID 130722223
8-(ethoxymethoxy)oct-1-yne
CID 156529670
5-pent-4-ynoxypent-1-yne
CID 57020380
N-methyl-N'-pent-4-ynylpropane-1,3-diamine
CID 59962672
1-butyl-3-pent-4-ynylurea
CID 103708294
N-pent-4-ynylpentan-2-amine
CID 115724855

Frequently Asked Questions

What is the IUPAC name of N-ethoxypent-4-yn-1-amine?
The IUPAC name of N-ethoxypent-4-yn-1-amine (CID 115872746) is N-ethoxypent-4-yn-1-amine.
What is the SMILES notation for N-ethoxypent-4-yn-1-amine?
The canonical SMILES for N-ethoxypent-4-yn-1-amine is C#CCCCNOCC.
What is the InChIKey of N-ethoxypent-4-yn-1-amine?
The InChIKey is AVIACKUJNZYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-6-7-8-9-4-2/h1,8H,4-7H2,2H3.
What are the key properties of N-ethoxypent-4-yn-1-amine?
N-ethoxypent-4-yn-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypent-4-yn-1-amine is sourced from PubChem (CID 115872746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).