(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine

C12H25N — CID 138636088

IUPAC(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
SMILESC=CC[C@@H](NC)[C@H](CC)[C@H](C)CC
InChIInChI=1S/C12H25N/c1-6-9-12(13-5)11(8-3)10(4)7-2/h6,10-13H,1,7-9H2,2-5H3/t10-,11-,12-/m1/s1
InChIKeySEXFMVOXQPSARC-IJLUTSLNSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds7

About (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine

(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine (PubChem CID 138636088) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine.

Molecular Properties

Compound Name(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
PubChem CID138636088
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
SMILESC=CC[C@@H](NC)[C@H](CC)[C@H](C)CC
InChIInChI=1S/C12H25N/c1-6-9-12(13-5)11(8-3)10(4)7-2/h6,10-13H,1,7-9H2,2-5H3/t10-,11-,12-/m1/s1
InChIKeySEXFMVOXQPSARC-IJLUTSLNSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
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

(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
7-methoxy-N,5-dimethylhept-1-en-4-amine
CID 116660673
3-ethyl-N,4-dimethylhexan-2-amine
CID 163950897
N,4-dimethylhexan-3-amine
CID 63559808
4,5,6-trimethyloct-1-ene
CID 91354249
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
4-ethyl-5,6-dimethyloct-1-ene
CID 123882592
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
CID 142059377
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
5-ethyl-4-methylnon-1-ene
CID 22027489
N-methyl-1-propan-2-yloxypent-4-en-2-amine
CID 116660601

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine?
The IUPAC name of (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine (CID 138636088) is (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine.
What is the SMILES notation for (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine?
The canonical SMILES for (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine is C=CC[C@@H](NC)[C@H](CC)[C@H](C)CC.
What is the InChIKey of (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine?
The InChIKey is SEXFMVOXQPSARC-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H25N/c1-6-9-12(13-5)11(8-3)10(4)7-2/h6,10-13H,1,7-9H2,2-5H3/t10-,11-,12-/m1/s1.
What are the key properties of (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine?
(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine is sourced from PubChem (CID 138636088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).