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

C11H23N — CID 79179373

IUPACN-ethyl-2,2,5-trimethylhex-5-en-3-amine
SMILESC=C(C)CC(NCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-7-12-10(8-9(2)3)11(4,5)6/h10,12H,2,7-8H2,1,3-6H3
InChIKeyNBEXSLIHGPNVCQ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds4

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

N-ethyl-2,2,5-trimethylhex-5-en-3-amine (PubChem CID 79179373) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-2,2,5-trimethylhex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2,5-trimethylhex-5-en-3-amine
PubChem CID79179373
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-2,2,5-trimethylhex-5-en-3-amine
SMILESC=C(C)CC(NCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-7-12-10(8-9(2)3)11(4,5)6/h10,12H,2,7-8H2,1,3-6H3
InChIKeyNBEXSLIHGPNVCQ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
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

2-(azepan-1-yl)-N-ethyl-2,5-dimethylhex-5-en-3-amine
CID 79185094
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
1-tert-butylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
CID 79186178
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392
N-ethyl-4,6-dimethylhept-6-en-2-amine
CID 79186327
5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
CID 116758190
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257
3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-6-ene-3,4-diamine
CID 79186670
5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine
CID 116759842
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
CID 62599846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,5-trimethylhex-5-en-3-amine?
The IUPAC name of N-ethyl-2,2,5-trimethylhex-5-en-3-amine (CID 79179373) is N-ethyl-2,2,5-trimethylhex-5-en-3-amine.
What is the SMILES notation for N-ethyl-2,2,5-trimethylhex-5-en-3-amine?
The canonical SMILES for N-ethyl-2,2,5-trimethylhex-5-en-3-amine is C=C(C)CC(NCC)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2,5-trimethylhex-5-en-3-amine?
The InChIKey is NBEXSLIHGPNVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-12-10(8-9(2)3)11(4,5)6/h10,12H,2,7-8H2,1,3-6H3.
What are the key properties of N-ethyl-2,2,5-trimethylhex-5-en-3-amine?
N-ethyl-2,2,5-trimethylhex-5-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,5-trimethylhex-5-en-3-amine is sourced from PubChem (CID 79179373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).