4-methyl-N-propan-2-ylhex-2-en-1-amine

C10H21N — CID 115278158

IUPAC4-methyl-N-propan-2-ylhex-2-en-1-amine
SMILESCCC(C)C=CCNC(C)C
InChIInChI=1S/C10H21N/c1-5-10(4)7-6-8-11-9(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyGCSNNDMBUSFJKN-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds5

About 4-methyl-N-propan-2-ylhex-2-en-1-amine

4-methyl-N-propan-2-ylhex-2-en-1-amine (PubChem CID 115278158) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylhex-2-en-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylhex-2-en-1-amine
PubChem CID115278158
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4-methyl-N-propan-2-ylhex-2-en-1-amine
SMILESCCC(C)C=CCNC(C)C
InChIInChI=1S/C10H21N/c1-5-10(4)7-6-8-11-9(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyGCSNNDMBUSFJKN-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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Related Compounds

(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 79592541
(Z)-5-methylhept-3-ene
CID 5364727
3,6-dimethyloct-4-ene
CID 73165576
(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine
CID 171552385
N-(2-methoxyethyl)-4-methylhex-2-en-1-amine
CID 115278166
(E)-4-methylhex-2-en-1-ol
CID 12036147
4,4-dimethyl-N-propan-2-ylpent-2-en-1-amine
CID 79007017
2,2,6-trimethyloct-4-ene
CID 91281227
3,7,8-trimethylnon-4-ene
CID 91465939
(E)-N,4-dimethylhept-2-en-1-amine
CID 131243211
(E)-3-methylnon-4-ene
CID 13082837
(E)-6-methyl-N-propan-2-ylhept-2-en-1-amine
CID 165095428

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylhex-2-en-1-amine?
The IUPAC name of 4-methyl-N-propan-2-ylhex-2-en-1-amine (CID 115278158) is 4-methyl-N-propan-2-ylhex-2-en-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-ylhex-2-en-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-ylhex-2-en-1-amine is CCC(C)C=CCNC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-ylhex-2-en-1-amine?
The InChIKey is GCSNNDMBUSFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-10(4)7-6-8-11-9(2)3/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 4-methyl-N-propan-2-ylhex-2-en-1-amine?
4-methyl-N-propan-2-ylhex-2-en-1-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 4-methyl-N-propan-2-ylhex-2-en-1-amine is sourced from PubChem (CID 115278158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).