N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide

C16H35N3 — CID 166950238

IUPACN'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide
SMILESCCC(CC)N(/C=N/C(C)(C)C)CCN(CC)CC
InChIInChI=1S/C16H35N3/c1-8-15(9-2)19(14-17-16(5,6)7)13-12-18(10-3)11-4/h14-15H,8-13H2,1-7H3/b17-14+
InChIKeyMYJIBAIYRRXYST-SAPNQHFASA-N
MW269.48 g/mol
LogP3.65
Rot. Bonds9

About N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide

N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide (PubChem CID 166950238) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide
PubChem CID166950238
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide
SMILESCCC(CC)N(/C=N/C(C)(C)C)CCN(CC)CC
InChIInChI=1S/C16H35N3/c1-8-15(9-2)19(14-17-16(5,6)7)13-12-18(10-3)11-4/h14-15H,8-13H2,1-7H3/b17-14+
InChIKeyMYJIBAIYRRXYST-SAPNQHFASA-N
XLogP3.65
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
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-butan-2-yl-N-(tert-butyliminomethyl)formamide
CID 134172290
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol
CID 163994835
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine
CID 176567703
N,N-diethyl-2-(ethyliminomethylideneamino)ethanamine
CID 87926600
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
2-[2-(diethylamino)ethyl]pentane-1-thiol
CID 23362439
4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol
CID 91276899
N'-[2-(dimethylamino)ethyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropan-2-amine
CID 87733382
2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde
CID 54349726
N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine
CID 10060177

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide?
The IUPAC name of N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide (CID 166950238) is N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide.
What is the SMILES notation for N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide?
The canonical SMILES for N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide is CCC(CC)N(/C=N/C(C)(C)C)CCN(CC)CC.
What is the InChIKey of N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide?
The InChIKey is MYJIBAIYRRXYST-SAPNQHFASA-N. The full InChI is InChI=1S/C16H35N3/c1-8-15(9-2)19(14-17-16(5,6)7)13-12-18(10-3)11-4/h14-15H,8-13H2,1-7H3/b17-14+.
What are the key properties of N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide?
N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide has a molecular weight of 269.48 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide is sourced from PubChem (CID 166950238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).