bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium

C15H34N2OP+ — CID 125130000

IUPACbis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium
SMILESC=CC[P+](O)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C15H34N2OP/c1-10-11-19(18,16(12(2)3)13(4)5)17(14(6)7)15(8)9/h10,12-15,18H,1,11H2,2-9H3/q+1
InChIKeyOVCAUJWVEJMFGZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.16
Rot. Bonds8

About bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium

bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium (PubChem CID 125130000) has the molecular formula C15H34N2OP+ and a molecular weight of 289.42 g/mol. Its IUPAC name is bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium.

Molecular Properties

Compound Namebis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium
PubChem CID125130000
Molecular FormulaC15H34N2OP+
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Namebis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium
SMILESC=CC[P+](O)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C15H34N2OP/c1-10-11-19(18,16(12(2)3)13(4)5)17(14(6)7)15(8)9/h10,12-15,18H,1,11H2,2-9H3/q+1
InChIKeyOVCAUJWVEJMFGZ-UHFFFAOYSA-N
XLogP4.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
CID 123847432
(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
3-methylhept-6-ene-2,4-diol
CID 66895376
azane;pent-4-en-2-ol
CID 22149561
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
4-propan-2-ylhepta-1,6-diene
CID 14140894
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054
(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926

Frequently Asked Questions

What is the IUPAC name of bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium?
The IUPAC name of bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium (CID 125130000) is bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium.
What is the SMILES notation for bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium?
The canonical SMILES for bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium is C=CC[P+](O)(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium?
The InChIKey is OVCAUJWVEJMFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2OP/c1-10-11-19(18,16(12(2)3)13(4)5)17(14(6)7)15(8)9/h10,12-15,18H,1,11H2,2-9H3/q+1.
What are the key properties of bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium?
bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium has a molecular weight of 289.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium is sourced from PubChem (CID 125130000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).