N-ethyl-3,5-dimethylhex-3-en-2-amine

C10H21N — CID 103093389

IUPACN-ethyl-3,5-dimethylhex-3-en-2-amine
SMILESCCNC(C)C(C)=CC(C)C
InChIInChI=1S/C10H21N/c1-6-11-10(5)9(4)7-8(2)3/h7-8,10-11H,6H2,1-5H3
InChIKeyDFLTZHCHHVMMDU-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds4

About N-ethyl-3,5-dimethylhex-3-en-2-amine

N-ethyl-3,5-dimethylhex-3-en-2-amine (PubChem CID 103093389) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-ethyl-3,5-dimethylhex-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethylhex-3-en-2-amine
PubChem CID103093389
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-ethyl-3,5-dimethylhex-3-en-2-amine
SMILESCCNC(C)C(C)=CC(C)C
InChIInChI=1S/C10H21N/c1-6-11-10(5)9(4)7-8(2)3/h7-8,10-11H,6H2,1-5H3
InChIKeyDFLTZHCHHVMMDU-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Isometheptene-mucate
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(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopropanamine
CID 164609141
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine
CID 164620837
5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
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6-Methyl-2-propylamino-5-heptene
CID 12541942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethylhex-3-en-2-amine?
The IUPAC name of N-ethyl-3,5-dimethylhex-3-en-2-amine (CID 103093389) is N-ethyl-3,5-dimethylhex-3-en-2-amine.
What is the SMILES notation for N-ethyl-3,5-dimethylhex-3-en-2-amine?
The canonical SMILES for N-ethyl-3,5-dimethylhex-3-en-2-amine is CCNC(C)C(C)=CC(C)C.
What is the InChIKey of N-ethyl-3,5-dimethylhex-3-en-2-amine?
The InChIKey is DFLTZHCHHVMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-6-11-10(5)9(4)7-8(2)3/h7-8,10-11H,6H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethylhex-3-en-2-amine?
N-ethyl-3,5-dimethylhex-3-en-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethylhex-3-en-2-amine is sourced from PubChem (CID 103093389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).