5-methyl-1-propoxyhex-4-en-3-amine

C10H21NO — CID 105163317

IUPAC5-methyl-1-propoxyhex-4-en-3-amine
SMILESCCCOCCC(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-4-6-12-7-5-10(11)8-9(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyYETBNXLZYIQXPY-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 5-methyl-1-propoxyhex-4-en-3-amine

5-methyl-1-propoxyhex-4-en-3-amine (PubChem CID 105163317) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-methyl-1-propoxyhex-4-en-3-amine.

Molecular Properties

Compound Name5-methyl-1-propoxyhex-4-en-3-amine
PubChem CID105163317
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-methyl-1-propoxyhex-4-en-3-amine
SMILESCCCOCCC(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-4-6-12-7-5-10(11)8-9(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyYETBNXLZYIQXPY-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
1-cyclopropyl-4-propoxybutan-2-amine
CID 105152821
5-propoxypent-1-yn-3-amine
CID 105158278
diethyl 2-(2-propoxyethyl)propanedioate
CID 106454926
(2-hydroxy-4-propoxybutyl) acetate
CID 121280529
3-methyl-1-propoxypentane
CID 123388243
2-methyl-5-propyloct-2-en-4-amine
CID 105004866
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
1-amino-3-butoxypropan-1-ol
CID 57047625
4-propoxybutan-2-ylhydrazine
CID 105282576
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
1-ethoxy-N,5-dimethylhex-4-en-3-amine
CID 105163329

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propoxyhex-4-en-3-amine?
The IUPAC name of 5-methyl-1-propoxyhex-4-en-3-amine (CID 105163317) is 5-methyl-1-propoxyhex-4-en-3-amine.
What is the SMILES notation for 5-methyl-1-propoxyhex-4-en-3-amine?
The canonical SMILES for 5-methyl-1-propoxyhex-4-en-3-amine is CCCOCCC(N)C=C(C)C.
What is the InChIKey of 5-methyl-1-propoxyhex-4-en-3-amine?
The InChIKey is YETBNXLZYIQXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-12-7-5-10(11)8-9(2)3/h8,10H,4-7,11H2,1-3H3.
What are the key properties of 5-methyl-1-propoxyhex-4-en-3-amine?
5-methyl-1-propoxyhex-4-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propoxyhex-4-en-3-amine is sourced from PubChem (CID 105163317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).