2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine

C9H22N4 — CID 26512

IUPAC2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine
SMILESCCCN(CCN=C(N)N)C(C)C
InChIInChI=1S/C9H22N4/c1-4-6-13(8(2)3)7-5-12-9(10)11/h8H,4-7H2,1-3H3,(H4,10,11,12)
InChIKeyNGHYJELJJPVZQD-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.38
Rot. Bonds6

About 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine

2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine (PubChem CID 26512) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine
PubChem CID26512
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine
SMILESCCCN(CCN=C(N)N)C(C)C
InChIInChI=1S/C9H22N4/c1-4-6-13(8(2)3)7-5-12-9(10)11/h8H,4-7H2,1-3H3,(H4,10,11,12)
InChIKeyNGHYJELJJPVZQD-UHFFFAOYSA-N
XLogP0.38
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.38
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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Related Compounds

N-(3-Diethylamino-propyl)-guanidine
CID 3721391
2-methyl-1-[2-[[(E)-N'-methylcarbamimidoyl]-sec-butyl-amino]ethyl]-1-sec-butyl-guanidine
CID 469977
N-(2-Diethylamino-ethyl)-guanidine
CID 18645
N-(3-dimethylamino-isopropyl)-N-ethyl-carbodiimide
CID 57284401
2-[2-(Dipropylamino)ethyl]guanidine
CID 18643
1-(1-tert-Butyl-3-azetidinyl)guanidine
CID 5744942
1-(3-(Diethylamino)propyl)biguanide
CID 11971281
2-[2-[Methyl(2-methylpropyl)amino]ethyl]guanidine
CID 26504
1-(2-(N-Methylcyclohexylamino)ethyl)guanidine
CID 26506
2-[2-[Ethyl(propan-2-yl)amino]ethyl]guanidine
CID 26510
2-[2-[Cyclohexyl(propyl)amino]ethyl]guanidine
CID 26514
2-(Diaminomethylideneamino)ethyl-diethyl-methylazanium
CID 56359

Frequently Asked Questions

What is the IUPAC name of 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine (CID 26512) is 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine is CCCN(CCN=C(N)N)C(C)C.
What is the InChIKey of 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine?
The InChIKey is NGHYJELJJPVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-4-6-13(8(2)3)7-5-12-9(10)11/h8H,4-7H2,1-3H3,(H4,10,11,12).
What are the key properties of 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine?
2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine has a molecular weight of 186.30 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine is sourced from PubChem (CID 26512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).