2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine

C17H36N4 — CID 109483063

IUPAC2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCNC(C)(C)C)NCC
InChIInChI=1S/C17H36N4/c1-7-9-10-11-12-15-21(6)16(18-8-2)19-13-14-20-17(3,4)5/h7,20H,1,8-15H2,2-6H3,(H,18,19)
InChIKeyLMKVTGKQFRKLDA-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.02
Rot. Bonds10

About 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine

2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine (PubChem CID 109483063) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
PubChem CID109483063
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCNC(C)(C)C)NCC
InChIInChI=1S/C17H36N4/c1-7-9-10-11-12-15-21(6)16(18-8-2)19-13-14-20-17(3,4)5/h7,20H,1,8-15H2,2-6H3,(H,18,19)
InChIKeyLMKVTGKQFRKLDA-UHFFFAOYSA-N
XLogP3.02
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Hept-6-enyl-1,2-dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109484564
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482906
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482907
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109482944
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 109482945
N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 109482961
N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109483006
N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide
CID 109483007
1-Hept-6-enyl-1,2-dimethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 109483013
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483062
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483146
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The IUPAC name of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine (CID 109483063) is 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine is C=CCCCCCN(C)/C(=N\CCNC(C)(C)C)NCC.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The InChIKey is LMKVTGKQFRKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-7-9-10-11-12-15-21(6)16(18-8-2)19-13-14-20-17(3,4)5/h7,20H,1,8-15H2,2-6H3,(H,18,19).
What are the key properties of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine has a molecular weight of 296.50 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine is sourced from PubChem (CID 109483063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).