1-propan-2-yloxyhept-6-en-2-amine

C10H21NO — CID 105153058

IUPAC1-propan-2-yloxyhept-6-en-2-amine
SMILESC=CCCCC(N)COC(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeySADLBPXJEMKCNM-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds7

About 1-propan-2-yloxyhept-6-en-2-amine

1-propan-2-yloxyhept-6-en-2-amine (PubChem CID 105153058) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-propan-2-yloxyhept-6-en-2-amine.

Molecular Properties

Compound Name1-propan-2-yloxyhept-6-en-2-amine
PubChem CID105153058
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-propan-2-yloxyhept-6-en-2-amine
SMILESC=CCCCC(N)COC(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeySADLBPXJEMKCNM-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxyhept-6-en-2-amine?
The IUPAC name of 1-propan-2-yloxyhept-6-en-2-amine (CID 105153058) is 1-propan-2-yloxyhept-6-en-2-amine.
What is the SMILES notation for 1-propan-2-yloxyhept-6-en-2-amine?
The canonical SMILES for 1-propan-2-yloxyhept-6-en-2-amine is C=CCCCC(N)COC(C)C.
What is the InChIKey of 1-propan-2-yloxyhept-6-en-2-amine?
The InChIKey is SADLBPXJEMKCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-10H,1,5-8,11H2,2-3H3.
What are the key properties of 1-propan-2-yloxyhept-6-en-2-amine?
1-propan-2-yloxyhept-6-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyhept-6-en-2-amine is sourced from PubChem (CID 105153058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).