(4S)-2,4,6,6-tetramethylheptan-2-amine

C11H25N — CID 167006603

IUPAC(4S)-2,4,6,6-tetramethylheptan-2-amine
SMILESC[C@@H](CC(C)(C)C)CC(C)(C)N
InChIInChI=1S/C11H25N/c1-9(7-10(2,3)4)8-11(5,6)12/h9H,7-8,12H2,1-6H3/t9-/m0/s1
InChIKeyPHSXBIXXVOKHKA-VIFPVBQESA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds3

About (4S)-2,4,6,6-tetramethylheptan-2-amine

(4S)-2,4,6,6-tetramethylheptan-2-amine (PubChem CID 167006603) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (4S)-2,4,6,6-tetramethylheptan-2-amine.

Molecular Properties

Compound Name(4S)-2,4,6,6-tetramethylheptan-2-amine
PubChem CID167006603
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(4S)-2,4,6,6-tetramethylheptan-2-amine
SMILESC[C@@H](CC(C)(C)C)CC(C)(C)N
InChIInChI=1S/C11H25N/c1-9(7-10(2,3)4)8-11(5,6)12/h9H,7-8,12H2,1-6H3/t9-/m0/s1
InChIKeyPHSXBIXXVOKHKA-VIFPVBQESA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
(4S)-2-methylpentane-2,4-diamine
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2,2,4,8,10,10-hexamethylundecane
CID 54023173
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
CID 102521820
CID 102521820
bis(2,4,4-trimethylpentyl)phosphane
CID 19428770
lithium 2,2,4-trimethylhexane
CID 19358976
Aluminum, hydrobis(2,4,4-trimethylpentyl)-
CID 16684520
(Z)-6,8,8-trimethylnon-3-en-1-amine
CID 129145208
2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane
CID 173268519

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4,6,6-tetramethylheptan-2-amine?
The IUPAC name of (4S)-2,4,6,6-tetramethylheptan-2-amine (CID 167006603) is (4S)-2,4,6,6-tetramethylheptan-2-amine.
What is the SMILES notation for (4S)-2,4,6,6-tetramethylheptan-2-amine?
The canonical SMILES for (4S)-2,4,6,6-tetramethylheptan-2-amine is C[C@@H](CC(C)(C)C)CC(C)(C)N.
What is the InChIKey of (4S)-2,4,6,6-tetramethylheptan-2-amine?
The InChIKey is PHSXBIXXVOKHKA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H25N/c1-9(7-10(2,3)4)8-11(5,6)12/h9H,7-8,12H2,1-6H3/t9-/m0/s1.
What are the key properties of (4S)-2,4,6,6-tetramethylheptan-2-amine?
(4S)-2,4,6,6-tetramethylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4,6,6-tetramethylheptan-2-amine is sourced from PubChem (CID 167006603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).