3-prop-1-en-2-yloxypropan-1-amine

C6H13NO — CID 139971945

IUPAC3-prop-1-en-2-yloxypropan-1-amine
SMILESC=C(C)OCCCN
InChIInChI=1S/C6H13NO/c1-6(2)8-5-3-4-7/h1,3-5,7H2,2H3
InChIKeyMYIJLLKKHKBDQP-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.89
Rot. Bonds4

About 3-prop-1-en-2-yloxypropan-1-amine

3-prop-1-en-2-yloxypropan-1-amine (PubChem CID 139971945) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-prop-1-en-2-yloxypropan-1-amine.

Molecular Properties

Compound Name3-prop-1-en-2-yloxypropan-1-amine
PubChem CID139971945
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-prop-1-en-2-yloxypropan-1-amine
SMILESC=C(C)OCCCN
InChIInChI=1S/C6H13NO/c1-6(2)8-5-3-4-7/h1,3-5,7H2,2H3
InChIKeyMYIJLLKKHKBDQP-UHFFFAOYSA-N
XLogP0.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-2-ethoxyprop-1-en-1-amine
CID 88960597
2-Prop-1-en-2-yloxyethanamine
CID 89149682
3-Ethoxybut-3-en-1-amine
CID 89171702
2-But-1-en-2-yloxyethanamine
CID 89204406
2-Ethoxyprop-2-en-1-amine
CID 89219185
3-Methoxybut-3-en-1-amine
CID 89264894
(E)-2-propoxyprop-1-en-1-amine
CID 89593389
3-Butoxybut-3-en-1-amine
CID 117817063
4-Prop-1-en-2-yloxybutan-1-amine
CID 129089314
2-Propoxyprop-2-en-1-amine
CID 129234391
4-Prop-1-en-2-yloxybutan-2-amine
CID 138563169
3-Methoxypenta-3,4-dien-1-amine
CID 139950067

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yloxypropan-1-amine?
The IUPAC name of 3-prop-1-en-2-yloxypropan-1-amine (CID 139971945) is 3-prop-1-en-2-yloxypropan-1-amine.
What is the SMILES notation for 3-prop-1-en-2-yloxypropan-1-amine?
The canonical SMILES for 3-prop-1-en-2-yloxypropan-1-amine is C=C(C)OCCCN.
What is the InChIKey of 3-prop-1-en-2-yloxypropan-1-amine?
The InChIKey is MYIJLLKKHKBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)8-5-3-4-7/h1,3-5,7H2,2H3.
What are the key properties of 3-prop-1-en-2-yloxypropan-1-amine?
3-prop-1-en-2-yloxypropan-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yloxypropan-1-amine is sourced from PubChem (CID 139971945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).