N,2-dimethyloct-1-en-3-amine;ethane

C12H27N — CID 143152284

IUPACN,2-dimethyloct-1-en-3-amine;ethane
SMILESC=C(C)C(CCCCC)NC.CC
InChIInChI=1S/C10H21N.C2H6/c1-5-6-7-8-10(11-4)9(2)3;1-2/h10-11H,2,5-8H2,1,3-4H3;1-2H3
InChIKeyJOMFUXVLROUOCX-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.76
Rot. Bonds6

About N,2-dimethyloct-1-en-3-amine;ethane

N,2-dimethyloct-1-en-3-amine;ethane (PubChem CID 143152284) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,2-dimethyloct-1-en-3-amine;ethane.

Molecular Properties

Compound NameN,2-dimethyloct-1-en-3-amine;ethane
PubChem CID143152284
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,2-dimethyloct-1-en-3-amine;ethane
SMILESC=C(C)C(CCCCC)NC.CC
InChIInChI=1S/C10H21N.C2H6/c1-5-6-7-8-10(11-4)9(2)3;1-2/h10-11H,2,5-8H2,1,3-4H3;1-2H3
InChIKeyJOMFUXVLROUOCX-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
3-(methylamino)nonan-2-one
CID 21024660
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
2-methyl-N-propan-2-ylhept-1-en-3-amine
CID 79411658
N-(2-methylhexa-1,5-dien-3-yl)heptan-2-amine
CID 23109102
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
propyl 2-(methylamino)hexadecanoate
CID 174448846
N,2,5-trimethylhexa-1,5-dien-3-amine
CID 130348735
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
(3E)-3-ethylidene-N-methyloct-1-en-4-amine
CID 129132264
4-methyl-3-methylidenedecane
CID 123290966
3-ethyl-2-methyldodec-1-ene
CID 174845873

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyloct-1-en-3-amine;ethane?
The IUPAC name of N,2-dimethyloct-1-en-3-amine;ethane (CID 143152284) is N,2-dimethyloct-1-en-3-amine;ethane.
What is the SMILES notation for N,2-dimethyloct-1-en-3-amine;ethane?
The canonical SMILES for N,2-dimethyloct-1-en-3-amine;ethane is C=C(C)C(CCCCC)NC.CC.
What is the InChIKey of N,2-dimethyloct-1-en-3-amine;ethane?
The InChIKey is JOMFUXVLROUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-5-6-7-8-10(11-4)9(2)3;1-2/h10-11H,2,5-8H2,1,3-4H3;1-2H3.
What are the key properties of N,2-dimethyloct-1-en-3-amine;ethane?
N,2-dimethyloct-1-en-3-amine;ethane has a molecular weight of 185.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyloct-1-en-3-amine;ethane is sourced from PubChem (CID 143152284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).