2-methyl-N-propan-2-ylhex-5-en-3-amine

C10H21N — CID 134926592

IUPAC2-methyl-N-propan-2-ylhex-5-en-3-amine
SMILESC=CCC(NC(C)C)C(C)C
InChIInChI=1S/C10H21N/c1-6-7-10(8(2)3)11-9(4)5/h6,8-11H,1,7H2,2-5H3
InChIKeyMJSSYEGOYRCOTO-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-N-propan-2-ylhex-5-en-3-amine

2-methyl-N-propan-2-ylhex-5-en-3-amine (PubChem CID 134926592) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylhex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylhex-5-en-3-amine
PubChem CID134926592
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-methyl-N-propan-2-ylhex-5-en-3-amine
SMILESC=CCC(NC(C)C)C(C)C
InChIInChI=1S/C10H21N/c1-6-7-10(8(2)3)11-9(4)5/h6,8-11H,1,7H2,2-5H3
InChIKeyMJSSYEGOYRCOTO-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylhex-5-en-3-amine?
The IUPAC name of 2-methyl-N-propan-2-ylhex-5-en-3-amine (CID 134926592) is 2-methyl-N-propan-2-ylhex-5-en-3-amine.
What is the SMILES notation for 2-methyl-N-propan-2-ylhex-5-en-3-amine?
The canonical SMILES for 2-methyl-N-propan-2-ylhex-5-en-3-amine is C=CCC(NC(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylhex-5-en-3-amine?
The InChIKey is MJSSYEGOYRCOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-6-7-10(8(2)3)11-9(4)5/h6,8-11H,1,7H2,2-5H3.
What are the key properties of 2-methyl-N-propan-2-ylhex-5-en-3-amine?
2-methyl-N-propan-2-ylhex-5-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylhex-5-en-3-amine is sourced from PubChem (CID 134926592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).