N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine

C12H30N3PS — CID 101134047

IUPACN-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N=P(S)(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C12H30N3PS/c1-10(2,3)13-16(17,14-11(4,5)6)15-12(7,8)9/h13-14,17H,1-9H3
InChIKeyQIBXYEUPHOJLJP-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.44
Rot. Bonds2

About N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine

N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine (PubChem CID 101134047) has the molecular formula C12H30N3PS and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine
PubChem CID101134047
Molecular FormulaC12H30N3PS
Molecular Weight279.43 g/mol
Exact Mass279.19
IUPAC NameN-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N=P(S)(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C12H30N3PS/c1-10(2,3)13-16(17,14-11(4,5)6)15-12(7,8)9/h13-14,17H,1-9H3
InChIKeyQIBXYEUPHOJLJP-UHFFFAOYSA-N
XLogP4.44
TPSA36.42 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine (CID 101134047) is N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine is CC(C)(C)N=P(S)(NC(C)(C)C)NC(C)(C)C.
What is the InChIKey of N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine?
The InChIKey is QIBXYEUPHOJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N3PS/c1-10(2,3)13-16(17,14-11(4,5)6)15-12(7,8)9/h13-14,17H,1-9H3.
What are the key properties of N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine?
N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 4.44, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tert-butylamino)-tert-butylimino-sulfanyl-λ5-phosphanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 101134047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).