N-ethyl-7,7-dimethyloctan-2-amine

C12H27N — CID 64504249

IUPACN-ethyl-7,7-dimethyloctan-2-amine
SMILESCCNC(C)CCCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-13-11(2)9-7-8-10-12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyLRWIPNCXIKIDRN-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-7,7-dimethyloctan-2-amine

N-ethyl-7,7-dimethyloctan-2-amine (PubChem CID 64504249) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-7,7-dimethyloctan-2-amine.

Molecular Properties

Compound NameN-ethyl-7,7-dimethyloctan-2-amine
PubChem CID64504249
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-7,7-dimethyloctan-2-amine
SMILESCCNC(C)CCCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-13-11(2)9-7-8-10-12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyLRWIPNCXIKIDRN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-9,9-dimethyldecan-3-one
CID 89032970
1,1-difluoro-6,6-dimethylheptane
CID 162546967
2,2,7-trimethylundecane
CID 57491501
(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
CID 166938089
2,2,13-trimethylpentadecane
CID 150334228
N-ethyloct-7-yn-2-amine
CID 64503782
7-chloro-2,2-dimethyloctane
CID 64515628
2,2,3,8,8-pentamethylnonane
CID 57491849
N-ethyl-5-methylhexan-2-amine
CID 24689543
(Z)-N-ethylnonadec-10-en-2-amine
CID 90035830
2,2,8,8-tetramethyl-3-propan-2-ylnonane
CID 174911208
5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,7-dimethyloctan-2-amine?
The IUPAC name of N-ethyl-7,7-dimethyloctan-2-amine (CID 64504249) is N-ethyl-7,7-dimethyloctan-2-amine.
What is the SMILES notation for N-ethyl-7,7-dimethyloctan-2-amine?
The canonical SMILES for N-ethyl-7,7-dimethyloctan-2-amine is CCNC(C)CCCCC(C)(C)C.
What is the InChIKey of N-ethyl-7,7-dimethyloctan-2-amine?
The InChIKey is LRWIPNCXIKIDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-13-11(2)9-7-8-10-12(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of N-ethyl-7,7-dimethyloctan-2-amine?
N-ethyl-7,7-dimethyloctan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,7-dimethyloctan-2-amine is sourced from PubChem (CID 64504249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).