2-[5-(diethylamino)pentan-2-yl]guanidine

C10H24N4 — CID 62358805

IUPAC2-[5-(diethylamino)pentan-2-yl]guanidine
SMILESCCN(CC)CCCC(C)N=C(N)N
InChIInChI=1S/C10H24N4/c1-4-14(5-2)8-6-7-9(3)13-10(11)12/h9H,4-8H2,1-3H3,(H4,11,12,13)
InChIKeyLQWXTVOWKIISDE-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.77
Rot. Bonds7

About 2-[5-(diethylamino)pentan-2-yl]guanidine

2-[5-(diethylamino)pentan-2-yl]guanidine (PubChem CID 62358805) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[5-(diethylamino)pentan-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-(diethylamino)pentan-2-yl]guanidine
PubChem CID62358805
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name2-[5-(diethylamino)pentan-2-yl]guanidine
SMILESCCN(CC)CCCC(C)N=C(N)N
InChIInChI=1S/C10H24N4/c1-4-14(5-2)8-6-7-9(3)13-10(11)12/h9H,4-8H2,1-3H3,(H4,11,12,13)
InChIKeyLQWXTVOWKIISDE-UHFFFAOYSA-N
XLogP0.77
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
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-[5-(diethylamino)pentan-2-yl]guanidine?
The IUPAC name of 2-[5-(diethylamino)pentan-2-yl]guanidine (CID 62358805) is 2-[5-(diethylamino)pentan-2-yl]guanidine.
What is the SMILES notation for 2-[5-(diethylamino)pentan-2-yl]guanidine?
The canonical SMILES for 2-[5-(diethylamino)pentan-2-yl]guanidine is CCN(CC)CCCC(C)N=C(N)N.
What is the InChIKey of 2-[5-(diethylamino)pentan-2-yl]guanidine?
The InChIKey is LQWXTVOWKIISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-4-14(5-2)8-6-7-9(3)13-10(11)12/h9H,4-8H2,1-3H3,(H4,11,12,13).
What are the key properties of 2-[5-(diethylamino)pentan-2-yl]guanidine?
2-[5-(diethylamino)pentan-2-yl]guanidine has a molecular weight of 200.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylamino)pentan-2-yl]guanidine is sourced from PubChem (CID 62358805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).