carbamimidoyl-tri(propan-2-yl)azanium

C10H24N3+ — CID 123800531

IUPACcarbamimidoyl-tri(propan-2-yl)azanium
SMILES[H]/N=C(\N)[N+](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C10H24N3/c1-7(2)13(8(3)4,9(5)6)10(11)12/h7-9H,1-6H3,(H3,11,12)/q+1
InChIKeyCUTMMOOVBFZCCE-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.92
Rot. Bonds3

About carbamimidoyl-tri(propan-2-yl)azanium

carbamimidoyl-tri(propan-2-yl)azanium (PubChem CID 123800531) has the molecular formula C10H24N3+ and a molecular weight of 186.32 g/mol. Its IUPAC name is carbamimidoyl-tri(propan-2-yl)azanium.

Molecular Properties

Compound Namecarbamimidoyl-tri(propan-2-yl)azanium
PubChem CID123800531
Molecular FormulaC10H24N3+
Molecular Weight186.32 g/mol
Exact Mass186.20
IUPAC Namecarbamimidoyl-tri(propan-2-yl)azanium
SMILES[H]/N=C(\N)[N+](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C10H24N3/c1-7(2)13(8(3)4,9(5)6)10(11)12/h7-9H,1-6H3,(H3,11,12)/q+1
InChIKeyCUTMMOOVBFZCCE-UHFFFAOYSA-N
XLogP1.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of carbamimidoyl-tri(propan-2-yl)azanium?
The IUPAC name of carbamimidoyl-tri(propan-2-yl)azanium (CID 123800531) is carbamimidoyl-tri(propan-2-yl)azanium.
What is the SMILES notation for carbamimidoyl-tri(propan-2-yl)azanium?
The canonical SMILES for carbamimidoyl-tri(propan-2-yl)azanium is [H]/N=C(\N)[N+](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of carbamimidoyl-tri(propan-2-yl)azanium?
The InChIKey is CUTMMOOVBFZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N3/c1-7(2)13(8(3)4,9(5)6)10(11)12/h7-9H,1-6H3,(H3,11,12)/q+1.
What are the key properties of carbamimidoyl-tri(propan-2-yl)azanium?
carbamimidoyl-tri(propan-2-yl)azanium has a molecular weight of 186.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl-tri(propan-2-yl)azanium is sourced from PubChem (CID 123800531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).