2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine

C14H30N5OP — CID 90824466

IUPAC2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine
SMILESC=P(C)(C)N1CCN(C(=O)CCCCCN=C(N)N)CC1
InChIInChI=1S/C14H30N5OP/c1-21(2,3)19-11-9-18(10-12-19)13(20)7-5-4-6-8-17-14(15)16/h1,4-12H2,2-3H3,(H4,15,16,17)
InChIKeyUFDUPPMWZMUYBQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.59
Rot. Bonds7

About 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine

2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine (PubChem CID 90824466) has the molecular formula C14H30N5OP and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine.

Molecular Properties

Compound Name2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine
PubChem CID90824466
Molecular FormulaC14H30N5OP
Molecular Weight315.40 g/mol
Exact Mass315.22
IUPAC Name2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine
SMILESC=P(C)(C)N1CCN(C(=O)CCCCCN=C(N)N)CC1
InChIInChI=1S/C14H30N5OP/c1-21(2,3)19-11-9-18(10-12-19)13(20)7-5-4-6-8-17-14(15)16/h1,4-12H2,2-3H3,(H4,15,16,17)
InChIKeyUFDUPPMWZMUYBQ-UHFFFAOYSA-N
XLogP0.59
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[4-(methylsulfanylmethyl)piperazin-1-yl]-6-oxohexyl]guanidine
CID 123762989
2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide
CID 173253387
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
ethyl 7-(diaminomethylideneamino)heptanoate;hydroiodide
CID 110930117
2-[8-[5-(diaminomethylideneamino)pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 22975624
2-(6-oxooct-7-enyl)guanidine
CID 58133145
2-(6-oxohenicosyl)guanidine
CID 163454706
2-[2-[bis[6-(diaminomethylideneamino)hexyl]carbamoyloxy]ethyl-[4-methyl-6-[4-(8-oxononanoyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethyl N,N-bis[6-(diaminomethylideneamino)hexyl]carbamate
CID 88938815
2-(5-oxoheptyl)guanidine
CID 89070451
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-6-oxohexyl]-1-(4-methylphenyl)guanidine
CID 111098585

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine?
The IUPAC name of 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine (CID 90824466) is 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine.
What is the SMILES notation for 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine?
The canonical SMILES for 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine is C=P(C)(C)N1CCN(C(=O)CCCCCN=C(N)N)CC1.
What is the InChIKey of 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine?
The InChIKey is UFDUPPMWZMUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N5OP/c1-21(2,3)19-11-9-18(10-12-19)13(20)7-5-4-6-8-17-14(15)16/h1,4-12H2,2-3H3,(H4,15,16,17).
What are the key properties of 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine?
2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine has a molecular weight of 315.40 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine is sourced from PubChem (CID 90824466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).