ethane;N,N,2-trimethylbutan-1-amine

C13H35N — CID 144720352

IUPACethane;N,N,2-trimethylbutan-1-amine
SMILESCC.CC.CC.CCC(C)CN(C)C
InChIInChI=1S/C7H17N.3C2H6/c1-5-7(2)6-8(3)4;3*1-2/h7H,5-6H2,1-4H3;3*1-2H3
InChIKeyOCTNCLXSZJWWKJ-UHFFFAOYSA-N
MW205.43 g/mol
LogP4.67
Rot. Bonds3

About ethane;N,N,2-trimethylbutan-1-amine

ethane;N,N,2-trimethylbutan-1-amine (PubChem CID 144720352) has the molecular formula C13H35N and a molecular weight of 205.43 g/mol. Its IUPAC name is ethane;N,N,2-trimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;N,N,2-trimethylbutan-1-amine
PubChem CID144720352
Molecular FormulaC13H35N
Molecular Weight205.43 g/mol
Exact Mass205.28
IUPAC Nameethane;N,N,2-trimethylbutan-1-amine
SMILESCC.CC.CC.CCC(C)CN(C)C
InChIInChI=1S/C7H17N.3C2H6/c1-5-7(2)6-8(3)4;3*1-2/h7H,5-6H2,1-4H3;3*1-2H3
InChIKeyOCTNCLXSZJWWKJ-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;N,N,2-trimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
carbanide;rutherfordium;N,N,2-trimethylbutan-1-amine
CID 166075746
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
CID 158144247
(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
CID 170265960
ethane;3-methylpentane
CID 91147782
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
N,N,2,4-tetramethylpentan-1-amine
CID 58758115
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2-trimethylbutan-1-amine?
The IUPAC name of ethane;N,N,2-trimethylbutan-1-amine (CID 144720352) is ethane;N,N,2-trimethylbutan-1-amine.
What is the SMILES notation for ethane;N,N,2-trimethylbutan-1-amine?
The canonical SMILES for ethane;N,N,2-trimethylbutan-1-amine is CC.CC.CC.CCC(C)CN(C)C.
What is the InChIKey of ethane;N,N,2-trimethylbutan-1-amine?
The InChIKey is OCTNCLXSZJWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.3C2H6/c1-5-7(2)6-8(3)4;3*1-2/h7H,5-6H2,1-4H3;3*1-2H3.
What are the key properties of ethane;N,N,2-trimethylbutan-1-amine?
ethane;N,N,2-trimethylbutan-1-amine has a molecular weight of 205.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2-trimethylbutan-1-amine is sourced from PubChem (CID 144720352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).