N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine

C19H48N7P2+ — CID 155306692

IUPACN,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
SMILESCCCCN(CCCC)[P+]1(N=P(N(C)C)(N(C)C)N(C)C)N(C)CCCN1C
InChIInChI=1S/C19H48N7P2/c1-11-13-18-26(19-14-12-2)28(24(9)16-15-17-25(28)10)20-27(21(3)4,22(5)6)23(7)8/h11-19H2,1-10H3/q+1
InChIKeyNNQUYOZRZQZUQY-UHFFFAOYSA-N
MW436.59 g/mol
LogP4.46
Rot. Bonds11

About N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine

N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine (PubChem CID 155306692) has the molecular formula C19H48N7P2+ and a molecular weight of 436.59 g/mol. Its IUPAC name is N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
PubChem CID155306692
Molecular FormulaC19H48N7P2+
Molecular Weight436.59 g/mol
Exact Mass436.34
IUPAC NameN,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
SMILESCCCCN(CCCC)[P+]1(N=P(N(C)C)(N(C)C)N(C)C)N(C)CCCN1C
InChIInChI=1S/C19H48N7P2/c1-11-13-18-26(19-14-12-2)28(24(9)16-15-17-25(28)10)20-27(21(3)4,22(5)6)23(7)8/h11-19H2,1-10H3/q+1
InChIKeyNNQUYOZRZQZUQY-UHFFFAOYSA-N
XLogP4.46
TPSA31.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
The IUPAC name of N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine (CID 155306692) is N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine.
What is the SMILES notation for N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
The canonical SMILES for N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine is CCCCN(CCCC)[P+]1(N=P(N(C)C)(N(C)C)N(C)C)N(C)CCCN1C.
What is the InChIKey of N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
The InChIKey is NNQUYOZRZQZUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H48N7P2/c1-11-13-18-26(19-14-12-2)28(24(9)16-15-17-25(28)10)20-27(21(3)4,22(5)6)23(7)8/h11-19H2,1-10H3/q+1.
What are the key properties of N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine has a molecular weight of 436.59 g/mol, XLogP of 4.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine is sourced from PubChem (CID 155306692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).