(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine

C14H30NPS — CID 15356803

IUPAC(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine
SMILESCC/C(=C\NC(C)(C)C)P(=S)(C(C)C)C(C)C
InChIInChI=1S/C14H30NPS/c1-9-13(10-15-14(6,7)8)16(17,11(2)3)12(4)5/h10-12,15H,9H2,1-8H3/b13-10+
InChIKeyNGHPGEVAOZGYOE-JLHYYAGUSA-N
MW275.44 g/mol
LogP4.92
Rot. Bonds5

About (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine

(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine (PubChem CID 15356803) has the molecular formula C14H30NPS and a molecular weight of 275.44 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine
PubChem CID15356803
Molecular FormulaC14H30NPS
Molecular Weight275.44 g/mol
Exact Mass275.18
IUPAC Name(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine
SMILESCC/C(=C\NC(C)(C)C)P(=S)(C(C)C)C(C)C
InChIInChI=1S/C14H30NPS/c1-9-13(10-15-14(6,7)8)16(17,11(2)3)12(4)5/h10-12,15H,9H2,1-8H3/b13-10+
InChIKeyNGHPGEVAOZGYOE-JLHYYAGUSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
CID 108834349
(1Z)-N-tert-butyl-2-methylbuta-1,3-dien-1-amine
CID 169228659
(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine
CID 130271953
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150
3-[(propan-2-ylamino)methylidene]heptan-4-one
CID 71321611
(tert-butylamino)methylidene-methylazanium
CID 101039433
N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide
CID 147842617
di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane
CID 23418689
(2S)-N-dihydroxyphosphinothioylbutan-2-amine
CID 88688812
3-tert-butyl-1,1-bis(2-methylpropyl)thiourea
CID 127513083
4-(tert-butylamino)but-3-enamide
CID 123960253
N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide
CID 144653401

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine (CID 15356803) is (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine is CC/C(=C\NC(C)(C)C)P(=S)(C(C)C)C(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine?
The InChIKey is NGHPGEVAOZGYOE-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H30NPS/c1-9-13(10-15-14(6,7)8)16(17,11(2)3)12(4)5/h10-12,15H,9H2,1-8H3/b13-10+.
What are the key properties of (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine?
(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine is sourced from PubChem (CID 15356803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).