1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine

C19H41N7O — CID 71511720

IUPAC1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine
SMILESCOCCCN=C(N/C(=N/C(C)C)NC(C)C)N/C(=N/C(C)C)NC(C)C
InChIInChI=1S/C19H41N7O/c1-13(2)21-18(22-14(3)4)25-17(20-11-10-12-27-9)26-19(23-15(5)6)24-16(7)8/h13-16H,10-12H2,1-9H3,(H4,20,21,22,23,24,25,26)
InChIKeyOXHKBOLQWNRDFM-UHFFFAOYSA-N
MW383.59 g/mol
LogP2.08
Rot. Bonds8

About 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine

1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine (PubChem CID 71511720) has the molecular formula C19H41N7O and a molecular weight of 383.59 g/mol. Its IUPAC name is 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine
PubChem CID71511720
Molecular FormulaC19H41N7O
Molecular Weight383.59 g/mol
Exact Mass383.34
IUPAC Name1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine
SMILESCOCCCN=C(N/C(=N/C(C)C)NC(C)C)N/C(=N/C(C)C)NC(C)C
InChIInChI=1S/C19H41N7O/c1-13(2)21-18(22-14(3)4)25-17(20-11-10-12-27-9)26-19(23-15(5)6)24-16(7)8/h13-16H,10-12H2,1-9H3,(H4,20,21,22,23,24,25,26)
InChIKeyOXHKBOLQWNRDFM-UHFFFAOYSA-N
XLogP2.08
TPSA94.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.59
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine (CID 71511720) is 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine is COCCCN=C(N/C(=N/C(C)C)NC(C)C)N/C(=N/C(C)C)NC(C)C.
What is the InChIKey of 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine?
The InChIKey is OXHKBOLQWNRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N7O/c1-13(2)21-18(22-14(3)4)25-17(20-11-10-12-27-9)26-19(23-15(5)6)24-16(7)8/h13-16H,10-12H2,1-9H3,(H4,20,21,22,23,24,25,26).
What are the key properties of 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine?
1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine has a molecular weight of 383.59 g/mol, XLogP of 2.08, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 71511720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).