N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine

C15H36N2 — CID 163239092

IUPACN-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(C)CC.CCNCC(C)CC
InChIInChI=1S/C8H19N.C7H17N/c1-5-8(3,4)7-9-6-2;1-4-7(3)6-8-5-2/h9H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeySGFDVKOTLZVBIN-UHFFFAOYSA-N
MW244.47 g/mol
LogP3.67
Rot. Bonds8

About N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine

N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine (PubChem CID 163239092) has the molecular formula C15H36N2 and a molecular weight of 244.47 g/mol. Its IUPAC name is N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
PubChem CID163239092
Molecular FormulaC15H36N2
Molecular Weight244.47 g/mol
Exact Mass244.29
IUPAC NameN-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(C)CC.CCNCC(C)CC
InChIInChI=1S/C8H19N.C7H17N/c1-5-8(3,4)7-9-6-2;1-4-7(3)6-8-5-2/h9H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeySGFDVKOTLZVBIN-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Diisoamylamine
CID 10988
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine
CID 15951508
N'-[3-(3,3-dimethylbutylamino)propyl]-N-[3-(ethylamino)propyl]butane-1,4-diamine
CID 45269599
N-ethyl-N'-[3-[3-[[(2S)-2-methylbutyl]amino]propylamino]propyl]propane-1,3-diamine
CID 10062564
N-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine
CID 16047642
1-Butanamine, 2-methyl-N-(2-methylbutyl)-
CID 12418701
1,4-Butanediamine, N,N'-diisobutyl-
CID 35877
1,4-Butanediamine, N-isobutyl-
CID 56050
1,4-Butanediamine, N-isopentyl-
CID 56229
N-(3-methylbutyl)pentane-1,5-diamine
CID 204875
N,N'-bis[3-(3-methylbutylamino)propyl]butane-1,4-diamine
CID 10719789
Diisopentylammonium chloride
CID 71095

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine (CID 163239092) is N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine is CCNCC(C)(C)CC.CCNCC(C)CC.
What is the InChIKey of N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine?
The InChIKey is SGFDVKOTLZVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H17N/c1-5-8(3,4)7-9-6-2;1-4-7(3)6-8-5-2/h9H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine?
N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine has a molecular weight of 244.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 163239092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).