(E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine

C14H30N3O3P — CID 10947126

IUPAC(E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine
SMILESCN(C)P(=O)(N(C)C)N(C)/C=C/CC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C14H30N3O3P/c1-14(2)19-12-13(20-14)10-8-9-11-17(7)21(18,15(3)4)16(5)6/h9,11,13H,8,10,12H2,1-7H3/b11-9+/t13-/m1/s1
InChIKeyALTRKDWGSGQQEC-YGNAEDSMSA-N
MW319.39 g/mol
LogP2.59
Rot. Bonds7

About (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine

(E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine (PubChem CID 10947126) has the molecular formula C14H30N3O3P and a molecular weight of 319.39 g/mol. Its IUPAC name is (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine
PubChem CID10947126
Molecular FormulaC14H30N3O3P
Molecular Weight319.39 g/mol
Exact Mass319.20
IUPAC Name(E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine
SMILESCN(C)P(=O)(N(C)C)N(C)/C=C/CC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C14H30N3O3P/c1-14(2)19-12-13(20-14)10-8-9-11-17(7)21(18,15(3)4)16(5)6/h9,11,13H,8,10,12H2,1-7H3/b11-9+/t13-/m1/s1
InChIKeyALTRKDWGSGQQEC-YGNAEDSMSA-N
XLogP2.59
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine
CID 134934646
(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 11063132
(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine
CID 102043189
4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 16753291
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
2,2-dimethyl-4-(2-nitroethyl)-1,3-dioxolane
CID 13425316
CID 59269279
CID 59269279
N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine
CID 155593787
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine
CID 10267486
ethyl (E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11736033

Frequently Asked Questions

What is the IUPAC name of (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine?
The IUPAC name of (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine (CID 10947126) is (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine?
The canonical SMILES for (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine is CN(C)P(=O)(N(C)C)N(C)/C=C/CC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine?
The InChIKey is ALTRKDWGSGQQEC-YGNAEDSMSA-N. The full InChI is InChI=1S/C14H30N3O3P/c1-14(2)19-12-13(20-14)10-8-9-11-17(7)21(18,15(3)4)16(5)6/h9,11,13H,8,10,12H2,1-7H3/b11-9+/t13-/m1/s1.
What are the key properties of (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine?
(E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine has a molecular weight of 319.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine is sourced from PubChem (CID 10947126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).