(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine

C12H27N — CID 163936645

IUPAC(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine
SMILESCC[C@@H](CCN)CC[C@@H](C)C(C)C
InChIInChI=1S/C12H27N/c1-5-12(8-9-13)7-6-11(4)10(2)3/h10-12H,5-9,13H2,1-4H3/t11-,12-/m1/s1
InChIKeyRNJWPPBCVZBTMT-VXGBXAGGSA-N
MW185.35 g/mol
LogP3.43
Rot. Bonds7

About (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine

(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine (PubChem CID 163936645) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine.

Molecular Properties

Compound Name(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine
PubChem CID163936645
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine
SMILESCC[C@@H](CCN)CC[C@@H](C)C(C)C
InChIInChI=1S/C12H27N/c1-5-12(8-9-13)7-6-11(4)10(2)3/h10-12H,5-9,13H2,1-4H3/t11-,12-/m1/s1
InChIKeyRNJWPPBCVZBTMT-VXGBXAGGSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-2,3-dimethyldecane
CID 57491764
6-ethyl-2,3,8-trimethyldecane
CID 90730025
8-amino-6-ethyloctan-3-one
CID 116578085
(3R)-3-ethylnonan-1-amine
CID 163925868
4,5-dimethylhexan-1-amine
CID 55283993
2-ethyl-4,5-dimethylhexan-1-amine
CID 147299389
azane;butane-1,3-diamine;pentane-1,3-diamine
CID 174966617
3,8,9-trimethyldecan-1-amine
CID 155084510
3-ethyl-5,5-dimethylhexan-1-amine
CID 83682161
3,6-diethyloctane
CID 526424
1,1-difluoro-4,5-dimethylhexane
CID 137419857
4,8-diethyl-5-methylundecane
CID 59928875

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine?
The IUPAC name of (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine (CID 163936645) is (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine.
What is the SMILES notation for (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine?
The canonical SMILES for (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine is CC[C@@H](CCN)CC[C@@H](C)C(C)C.
What is the InChIKey of (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine?
The InChIKey is RNJWPPBCVZBTMT-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H27N/c1-5-12(8-9-13)7-6-11(4)10(2)3/h10-12H,5-9,13H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine?
(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine is sourced from PubChem (CID 163936645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).