(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine

C12H27N — CID 29036853

IUPAC(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
SMILESCC(C)CC[C@H](C)N[C@@H](C)C(C)C
InChIInChI=1S/C12H27N/c1-9(2)7-8-11(5)13-12(6)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12-/m0/s1
InChIKeyUHDPPEGJAWXQBY-RYUDHWBXSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds6

About (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine

(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine (PubChem CID 29036853) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine.

Molecular Properties

Compound Name(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
PubChem CID29036853
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
SMILESCC(C)CC[C@H](C)N[C@@H](C)C(C)C
InChIInChI=1S/C12H27N/c1-9(2)7-8-11(5)13-12(6)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12-/m0/s1
InChIKeyUHDPPEGJAWXQBY-RYUDHWBXSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036851
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
CID 93082740
N-ethyl-5-methylhexan-2-amine
CID 24689543
2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103387734
5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine
CID 115721803
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819
N-(3-methylbutan-2-yl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60689682
2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol
CID 65332732
(2R)-1-[[(2S)-5-methylhexan-2-yl]amino]propan-2-ol
CID 93081921
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine?
The IUPAC name of (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine (CID 29036853) is (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine.
What is the SMILES notation for (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine?
The canonical SMILES for (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine is CC(C)CC[C@H](C)N[C@@H](C)C(C)C.
What is the InChIKey of (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine?
The InChIKey is UHDPPEGJAWXQBY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H27N/c1-9(2)7-8-11(5)13-12(6)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12-/m0/s1.
What are the key properties of (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine?
(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine is sourced from PubChem (CID 29036853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).