(2S)-1-N,2-N-ditert-butyldecane-1,2-diamine

C18H40N2 — CID 134927331

IUPAC(2S)-1-N,2-N-ditert-butyldecane-1,2-diamine
SMILESCCCCCCCC[C@@H](CNC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C18H40N2/c1-8-9-10-11-12-13-14-16(20-18(5,6)7)15-19-17(2,3)4/h16,19-20H,8-15H2,1-7H3/t16-/m0/s1
InChIKeyGNDBJOKMCOVISC-INIZCTEOSA-N
MW284.53 g/mol
LogP4.88
Rot. Bonds10

About (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine

(2S)-1-N,2-N-ditert-butyldecane-1,2-diamine (PubChem CID 134927331) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,2-N-ditert-butyldecane-1,2-diamine
PubChem CID134927331
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name(2S)-1-N,2-N-ditert-butyldecane-1,2-diamine
SMILESCCCCCCCC[C@@H](CNC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C18H40N2/c1-8-9-10-11-12-13-14-16(20-18(5,6)7)15-19-17(2,3)4/h16,19-20H,8-15H2,1-7H3/t16-/m0/s1
InChIKeyGNDBJOKMCOVISC-INIZCTEOSA-N
XLogP4.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine?
The IUPAC name of (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine (CID 134927331) is (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine.
What is the SMILES notation for (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine?
The canonical SMILES for (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine is CCCCCCCC[C@@H](CNC(C)(C)C)NC(C)(C)C.
What is the InChIKey of (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine?
The InChIKey is GNDBJOKMCOVISC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H40N2/c1-8-9-10-11-12-13-14-16(20-18(5,6)7)15-19-17(2,3)4/h16,19-20H,8-15H2,1-7H3/t16-/m0/s1.
What are the key properties of (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine?
(2S)-1-N,2-N-ditert-butyldecane-1,2-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,2-N-ditert-butyldecane-1,2-diamine is sourced from PubChem (CID 134927331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).