N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine

C16H35N — CID 170849412

IUPACN,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine
SMILESCCCC(C)CCC(CN(C)C)C(C)C(C)C
InChIInChI=1S/C16H35N/c1-8-9-14(4)10-11-16(12-17(6)7)15(5)13(2)3/h13-16H,8-12H2,1-7H3
InChIKeyAPKIFEDFYDORDX-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.67
Rot. Bonds9

About N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine

N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine (PubChem CID 170849412) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine
PubChem CID170849412
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine
SMILESCCCC(C)CCC(CN(C)C)C(C)C(C)C
InChIInChI=1S/C16H35N/c1-8-9-14(4)10-11-16(12-17(6)7)15(5)13(2)3/h13-16H,8-12H2,1-7H3
InChIKeyAPKIFEDFYDORDX-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-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

5-methyl-2-(3-methylbutan-2-yl)octan-1-ol
CID 23315972
4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine
CID 170849414
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2,3,4,7-tetramethyl-5-propyldecane
CID 91020847
4-methylheptane;propane
CID 142171269
(3R,6R)-3,6-dimethylnonane
CID 170848352
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
N,N,7-trimethyl-2-pentan-2-yloctan-1-amine
CID 170849400
acetylene;4-methylheptane
CID 143164229
N,N-dimethylmethanamine;3-methylhexane
CID 156791587

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine?
The IUPAC name of N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine (CID 170849412) is N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine.
What is the SMILES notation for N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine?
The canonical SMILES for N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine is CCCC(C)CCC(CN(C)C)C(C)C(C)C.
What is the InChIKey of N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine?
The InChIKey is APKIFEDFYDORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-8-9-14(4)10-11-16(12-17(6)7)15(5)13(2)3/h13-16H,8-12H2,1-7H3.
What are the key properties of N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine?
N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine is sourced from PubChem (CID 170849412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).