4-prop-2-ynoxybutan-1-amine

C7H13NO — CID 126972070

IUPAC4-prop-2-ynoxybutan-1-amine
SMILESC#CCOCCCCN
InChIInChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8/h1H,3-8H2
InChIKeyRFCLGZGBUGBAFV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.38
Rot. Bonds5

About 4-prop-2-ynoxybutan-1-amine

4-prop-2-ynoxybutan-1-amine (PubChem CID 126972070) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-prop-2-ynoxybutan-1-amine.

Molecular Properties

Compound Name4-prop-2-ynoxybutan-1-amine
PubChem CID126972070
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-prop-2-ynoxybutan-1-amine
SMILESC#CCOCCCCN
InChIInChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8/h1H,3-8H2
InChIKeyRFCLGZGBUGBAFV-UHFFFAOYSA-N
XLogP0.38
TPSA35.25 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 ≤ 50.38
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

3-prop-2-ynoxypropan-1-amine;hydrochloride
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CID 172894425
CID 172894425
5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine
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12-prop-2-ynoxydodecan-1-ol
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5-prop-2-ynoxypentan-1-ol
CID 10796854
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
7-prop-2-ynoxyheptanamide
CID 91308975
5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
CID 139594107
3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
CID 155396876

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-ynoxybutan-1-amine?
The IUPAC name of 4-prop-2-ynoxybutan-1-amine (CID 126972070) is 4-prop-2-ynoxybutan-1-amine.
What is the SMILES notation for 4-prop-2-ynoxybutan-1-amine?
The canonical SMILES for 4-prop-2-ynoxybutan-1-amine is C#CCOCCCCN.
What is the InChIKey of 4-prop-2-ynoxybutan-1-amine?
The InChIKey is RFCLGZGBUGBAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8/h1H,3-8H2.
What are the key properties of 4-prop-2-ynoxybutan-1-amine?
4-prop-2-ynoxybutan-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynoxybutan-1-amine is sourced from PubChem (CID 126972070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).