ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium

C18H43N5V — CID 158727971

IUPACethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
SMILESC.C.C=C.C=C.C=C.C=C.CCC/N=C(\N)N/C(N)=N/CCC.[V]
InChIInChI=1S/C8H19N5.4C2H4.2CH4.V/c1-3-5-11-7(9)13-8(10)12-6-4-2;4*1-2;;;/h3-6H2,1-2H3,(H5,9,10,11,12,13);4*1-2H2;2*1H4;
InChIKeyIKTAASWRRMCROW-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.50
Rot. Bonds4

About ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium

ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium (PubChem CID 158727971) has the molecular formula C18H43N5V and a molecular weight of 380.52 g/mol. Its IUPAC name is ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium.

Molecular Properties

Compound Nameethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
PubChem CID158727971
Molecular FormulaC18H43N5V
Molecular Weight380.52 g/mol
Exact Mass380.30
IUPAC Nameethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
SMILESC.C.C=C.C=C.C=C.C=C.CCC/N=C(\N)N/C(N)=N/CCC.[V]
InChIInChI=1S/C8H19N5.4C2H4.2CH4.V/c1-3-5-11-7(9)13-8(10)12-6-4-2;4*1-2;;;/h3-6H2,1-2H3,(H5,9,10,11,12,13);4*1-2H2;2*1H4;
InChIKeyIKTAASWRRMCROW-UHFFFAOYSA-N
XLogP4.50
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[N'-(4,4-dimethylpentyl)carbamimidoyl]-2-propylguanidine
CID 129026582
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
ethane;1-hydroxy-2-propylguanidine
CID 162518458
1-amino-2-propylguanidine;hydrochloride
CID 173441996
(N'-butylcarbamimidoyl)urea
CID 10975769
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine
CID 106190240
2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
CID 150669227
(N'-hexylcarbamimidoyl)urea
CID 87601330
1-[3-(hydroxymethyl)pentan-3-yl]-2-propylguanidine
CID 62519833
2-propyl-1-(2,4,4-trimethylpentan-2-yl)guanidine
CID 62378563
1-(4-hydroxybutan-2-yl)-2-propylguanidine
CID 83177933

Frequently Asked Questions

What is the IUPAC name of ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium?
The IUPAC name of ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium (CID 158727971) is ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium.
What is the SMILES notation for ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium?
The canonical SMILES for ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium is C.C.C=C.C=C.C=C.C=C.CCC/N=C(\N)N/C(N)=N/CCC.[V].
What is the InChIKey of ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium?
The InChIKey is IKTAASWRRMCROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5.4C2H4.2CH4.V/c1-3-5-11-7(9)13-8(10)12-6-4-2;4*1-2;;;/h3-6H2,1-2H3,(H5,9,10,11,12,13);4*1-2H2;2*1H4;.
What are the key properties of ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium?
ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium has a molecular weight of 380.52 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium is sourced from PubChem (CID 158727971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).