(N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium

C11H26N3+ — CID 87811750

IUPAC(N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium
SMILESCCCCCN(C)/C(=N\C)[N+](C)(C)C
InChIInChI=1S/C11H26N3/c1-7-8-9-10-13(3)11(12-2)14(4,5)6/h7-10H2,1-6H3/q+1/b12-11+
InChIKeyQJTGIYUERNADNK-VAWYXSNFSA-N
MW200.35 g/mol
LogP1.80
Rot. Bonds4

About (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium

(N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium (PubChem CID 87811750) has the molecular formula C11H26N3+ and a molecular weight of 200.35 g/mol. Its IUPAC name is (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium.

Molecular Properties

Compound Name(N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium
PubChem CID87811750
Molecular FormulaC11H26N3+
Molecular Weight200.35 g/mol
Exact Mass200.21
IUPAC Name(N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium
SMILESCCCCCN(C)/C(=N\C)[N+](C)(C)C
InChIInChI=1S/C11H26N3/c1-7-8-9-10-13(3)11(12-2)14(4,5)6/h7-10H2,1-6H3/q+1/b12-11+
InChIKeyQJTGIYUERNADNK-VAWYXSNFSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium?
The IUPAC name of (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium (CID 87811750) is (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium.
What is the SMILES notation for (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium?
The canonical SMILES for (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium is CCCCCN(C)/C(=N\C)[N+](C)(C)C.
What is the InChIKey of (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium?
The InChIKey is QJTGIYUERNADNK-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H26N3/c1-7-8-9-10-13(3)11(12-2)14(4,5)6/h7-10H2,1-6H3/q+1/b12-11+.
What are the key properties of (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium?
(N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium has a molecular weight of 200.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium is sourced from PubChem (CID 87811750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).