1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine

C14H32N4 — CID 102994215

IUPAC1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(N)=N/CC(C)C
InChIInChI=1S/C14H32N4/c1-6-17(7-2)10-9-11-18(8-3)14(15)16-12-13(4)5/h13H,6-12H2,1-5H3,(H2,15,16)
InChIKeyGQGIZQFFXGCCAF-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.01
Rot. Bonds9

About 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine

1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 102994215) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
PubChem CID102994215
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(N)=N/CC(C)C
InChIInChI=1S/C14H32N4/c1-6-17(7-2)10-9-11-18(8-3)14(15)16-12-13(4)5/h13H,6-12H2,1-5H3,(H2,15,16)
InChIKeyGQGIZQFFXGCCAF-UHFFFAOYSA-N
XLogP2.01
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

Guanidine, 3-cyano-1,1-dibutyl-
CID 3024534
6,6-Dimethyl-1-propyl-1,3,5-triazine-2,4-diamine
CID 427467
N,N-Dibutyl-1-carbamimidamidomethanimidamide
CID 58400
1,1-dibutyl-2-(N'-butylcarbamimidoyl)guanidine
CID 9570964
Biguanide, 1-isobutyl-1-methyl-, monohydrochloride
CID 176529364
1,1,2-Tripropylguanidine
CID 19361178
3-(Diaminomethylidene)-1,1-dipropylguanidine
CID 19788243
2-Cyano-1-(2-methylpropyl)-1-propylguanidine
CID 20245289
2-Cyano-1,1-bis(2-methylpropyl)guanidine
CID 20245303
1,2-Diethyl-1-(3-methylbutyl)guanidine
CID 21191512
1,2-Dimethyl-1-(3-methylbutyl)guanidine
CID 21191528
1,1,2-Tris(2,2-dimethylpropyl)guanidine
CID 23103984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine (CID 102994215) is 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine is CCN(CC)CCCN(CC)/C(N)=N/CC(C)C.
What is the InChIKey of 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is GQGIZQFFXGCCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-6-17(7-2)10-9-11-18(8-3)14(15)16-12-13(4)5/h13H,6-12H2,1-5H3,(H2,15,16).
What are the key properties of 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 256.44 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 102994215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).