(E)-N-propan-2-yloxyprop-1-en-1-amine

C6H13NO — CID 56976773

IUPAC(E)-N-propan-2-yloxyprop-1-en-1-amine
SMILESC/C=C/NOC(C)C
InChIInChI=1S/C6H13NO/c1-4-5-7-8-6(2)3/h4-7H,1-3H3/b5-4+
InChIKeyONRRCJABHLVNKD-SNAWJCMRSA-N
MW115.18 g/mol
LogP1.45
Rot. Bonds3

About (E)-N-propan-2-yloxyprop-1-en-1-amine

(E)-N-propan-2-yloxyprop-1-en-1-amine (PubChem CID 56976773) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-N-propan-2-yloxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-propan-2-yloxyprop-1-en-1-amine
PubChem CID56976773
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E)-N-propan-2-yloxyprop-1-en-1-amine
SMILESC/C=C/NOC(C)C
InChIInChI=1S/C6H13NO/c1-4-5-7-8-6(2)3/h4-7H,1-3H3/b5-4+
InChIKeyONRRCJABHLVNKD-SNAWJCMRSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propan-2-yloxyprop-1-en-1-amine?
The IUPAC name of (E)-N-propan-2-yloxyprop-1-en-1-amine (CID 56976773) is (E)-N-propan-2-yloxyprop-1-en-1-amine.
What is the SMILES notation for (E)-N-propan-2-yloxyprop-1-en-1-amine?
The canonical SMILES for (E)-N-propan-2-yloxyprop-1-en-1-amine is C/C=C/NOC(C)C.
What is the InChIKey of (E)-N-propan-2-yloxyprop-1-en-1-amine?
The InChIKey is ONRRCJABHLVNKD-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5-7-8-6(2)3/h4-7H,1-3H3/b5-4+.
What are the key properties of (E)-N-propan-2-yloxyprop-1-en-1-amine?
(E)-N-propan-2-yloxyprop-1-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-yloxyprop-1-en-1-amine is sourced from PubChem (CID 56976773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).