(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine

C15H33N — CID 162040885

IUPAC(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
SMILESCNCC(C)[C@@H](C)[C@H](C)C(C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-11(9-15(5,6)7)13(3)14(4)12(2)10-16-8/h11-14,16H,9-10H2,1-8H3/t11?,12?,13-,14-/m1/s1
InChIKeyDDFFAWQWBWCFIO-NWINJMCUSA-N
MW227.44 g/mol
LogP4.19
Rot. Bonds6

About (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine

(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine (PubChem CID 162040885) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine.

Molecular Properties

Compound Name(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
PubChem CID162040885
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
SMILESCNCC(C)[C@@H](C)[C@H](C)C(C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-11(9-15(5,6)7)13(3)14(4)12(2)10-16-8/h11-14,16H,9-10H2,1-8H3/t11?,12?,13-,14-/m1/s1
InChIKeyDDFFAWQWBWCFIO-NWINJMCUSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,6,6-pentamethyl-2-tritioheptane
CID 173494930
2-chloro-N,4,4-trimethylpentan-1-amine
CID 107155762
4-ethyl-N,2,3-trimethylhexan-1-amine
CID 81016433
(2S,4S,5S)-6-(2,2-dimethylpropyl)-3,4,5-trimethyloxan-2-ol;(3S,4R)-5-methanidyl-N,2,3,4,7,7-hexamethyloctan-1-amine;yttrium
CID 162040884
4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
CID 117241786
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
2-cyclopropyl-N,4,4-trimethylpentan-1-amine
CID 83827155
2,3,4,6,6-pentamethylheptan-2-ol
CID 152553280
N-(2,2-dimethylpropyl)-N',2-dimethylpropane-1,3-diamine
CID 79201734
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
CID 107473500

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine?
The IUPAC name of (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine (CID 162040885) is (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine.
What is the SMILES notation for (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine?
The canonical SMILES for (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine is CNCC(C)[C@@H](C)[C@H](C)C(C)CC(C)(C)C.
What is the InChIKey of (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine?
The InChIKey is DDFFAWQWBWCFIO-NWINJMCUSA-N. The full InChI is InChI=1S/C15H33N/c1-11(9-15(5,6)7)13(3)14(4)12(2)10-16-8/h11-14,16H,9-10H2,1-8H3/t11?,12?,13-,14-/m1/s1.
What are the key properties of (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine?
(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine is sourced from PubChem (CID 162040885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).