2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine

C16H34N4 — CID 151930865

IUPAC2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NCC(C)NC1CCCCC1)NC(C)C
InChIInChI=1S/C16H34N4/c1-12(2)18-16(19-13(3)4)17-11-14(5)20-15-9-7-6-8-10-15/h12-15,20H,6-11H2,1-5H3,(H2,17,18,19)
InChIKeySYTIYAXORAVBFD-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine

2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine (PubChem CID 151930865) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine
PubChem CID151930865
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NCC(C)NC1CCCCC1)NC(C)C
InChIInChI=1S/C16H34N4/c1-12(2)18-16(19-13(3)4)17-11-14(5)20-15-9-7-6-8-10-15/h12-15,20H,6-11H2,1-5H3,(H2,17,18,19)
InChIKeySYTIYAXORAVBFD-UHFFFAOYSA-N
XLogP2.65
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.65
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine?
The IUPAC name of 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine (CID 151930865) is 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine?
The canonical SMILES for 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine is CC(C)NC(=NCC(C)NC1CCCCC1)NC(C)C.
What is the InChIKey of 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine?
The InChIKey is SYTIYAXORAVBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-12(2)18-16(19-13(3)4)17-11-14(5)20-15-9-7-6-8-10-15/h12-15,20H,6-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine?
2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine has a molecular weight of 282.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 151930865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).