(5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine

C18H40N2 — CID 134925867

IUPAC(5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine
SMILESCCCC[C@H](NC(C)(C)C)[C@@H](CCCC)NC(C)(C)C
InChIInChI=1S/C18H40N2/c1-9-11-13-15(19-17(3,4)5)16(14-12-10-2)20-18(6,7)8/h15-16,19-20H,9-14H2,1-8H3/t15-,16+
InChIKeyJDSFHAATDQBUBM-IYBDPMFKSA-N
MW284.53 g/mol
LogP4.88
Rot. Bonds9

About (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine

(5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine (PubChem CID 134925867) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine.

Molecular Properties

Compound Name(5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine
PubChem CID134925867
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name(5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine
SMILESCCCC[C@H](NC(C)(C)C)[C@@H](CCCC)NC(C)(C)C
InChIInChI=1S/C18H40N2/c1-9-11-13-15(19-17(3,4)5)16(14-12-10-2)20-18(6,7)8/h15-16,19-20H,9-14H2,1-8H3/t15-,16+
InChIKeyJDSFHAATDQBUBM-IYBDPMFKSA-N
XLogP4.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine?
The IUPAC name of (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine (CID 134925867) is (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine.
What is the SMILES notation for (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine?
The canonical SMILES for (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine is CCCC[C@H](NC(C)(C)C)[C@@H](CCCC)NC(C)(C)C.
What is the InChIKey of (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine?
The InChIKey is JDSFHAATDQBUBM-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H40N2/c1-9-11-13-15(19-17(3,4)5)16(14-12-10-2)20-18(6,7)8/h15-16,19-20H,9-14H2,1-8H3/t15-,16+.
What are the key properties of (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine?
(5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine is sourced from PubChem (CID 134925867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).