(2S,4R)-1,4-diamino-6-methylheptan-2-ol

C8H20N2O — CID 166872257

IUPAC(2S,4R)-1,4-diamino-6-methylheptan-2-ol
SMILESCC(C)C[C@@H](N)C[C@H](O)CN
InChIInChI=1S/C8H20N2O/c1-6(2)3-7(10)4-8(11)5-9/h6-8,11H,3-5,9-10H2,1-2H3/t7-,8+/m1/s1
InChIKeyKVAZXCDAWNGOOS-SFYZADRCSA-N
MW160.26 g/mol
LogP0.07
Rot. Bonds5

About (2S,4R)-1,4-diamino-6-methylheptan-2-ol

(2S,4R)-1,4-diamino-6-methylheptan-2-ol (PubChem CID 166872257) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is (2S,4R)-1,4-diamino-6-methylheptan-2-ol.

Molecular Properties

Compound Name(2S,4R)-1,4-diamino-6-methylheptan-2-ol
PubChem CID166872257
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name(2S,4R)-1,4-diamino-6-methylheptan-2-ol
SMILESCC(C)C[C@@H](N)C[C@H](O)CN
InChIInChI=1S/C8H20N2O/c1-6(2)3-7(10)4-8(11)5-9/h6-8,11H,3-5,9-10H2,1-2H3/t7-,8+/m1/s1
InChIKeyKVAZXCDAWNGOOS-SFYZADRCSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1,4-diamino-6-methylheptan-2-ol?
The IUPAC name of (2S,4R)-1,4-diamino-6-methylheptan-2-ol (CID 166872257) is (2S,4R)-1,4-diamino-6-methylheptan-2-ol.
What is the SMILES notation for (2S,4R)-1,4-diamino-6-methylheptan-2-ol?
The canonical SMILES for (2S,4R)-1,4-diamino-6-methylheptan-2-ol is CC(C)C[C@@H](N)C[C@H](O)CN.
What is the InChIKey of (2S,4R)-1,4-diamino-6-methylheptan-2-ol?
The InChIKey is KVAZXCDAWNGOOS-SFYZADRCSA-N. The full InChI is InChI=1S/C8H20N2O/c1-6(2)3-7(10)4-8(11)5-9/h6-8,11H,3-5,9-10H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1,4-diamino-6-methylheptan-2-ol?
(2S,4R)-1,4-diamino-6-methylheptan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1,4-diamino-6-methylheptan-2-ol is sourced from PubChem (CID 166872257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).