N,N,7-trimethyl-2-pentan-2-yloctan-1-amine

C16H35N — CID 170849400

IUPACN,N,7-trimethyl-2-pentan-2-yloctan-1-amine
SMILESCCCC(C)C(CCCCC(C)C)CN(C)C
InChIInChI=1S/C16H35N/c1-7-10-15(4)16(13-17(5)6)12-9-8-11-14(2)3/h14-16H,7-13H2,1-6H3
InChIKeyQIBDVSRPQZTORI-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.82
Rot. Bonds10

About N,N,7-trimethyl-2-pentan-2-yloctan-1-amine

N,N,7-trimethyl-2-pentan-2-yloctan-1-amine (PubChem CID 170849400) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N,N,7-trimethyl-2-pentan-2-yloctan-1-amine.

Molecular Properties

Compound NameN,N,7-trimethyl-2-pentan-2-yloctan-1-amine
PubChem CID170849400
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN,N,7-trimethyl-2-pentan-2-yloctan-1-amine
SMILESCCCC(C)C(CCCCC(C)C)CN(C)C
InChIInChI=1S/C16H35N/c1-7-10-15(4)16(13-17(5)6)12-9-8-11-14(2)3/h14-16H,7-13H2,1-6H3
InChIKeyQIBDVSRPQZTORI-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,9,10-trimethyltridecane
CID 123263779
N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine
CID 175624812
2,5,11-trimethyl-4-propyldodecane
CID 123176237
2-pentan-2-ylnonan-1-ol
CID 23316007
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
1-(dimethylamino)-3-methylhexan-2-ol
CID 107892980
6-ethyl-2-methyl-7-propylpentadecane
CID 123507470
5-butyl-2,6-dimethyldecane
CID 123775332
3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine
CID 88939671
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
2-methyloctacosane
CID 519147
mercury;2-methylheptane
CID 175108338

Frequently Asked Questions

What is the IUPAC name of N,N,7-trimethyl-2-pentan-2-yloctan-1-amine?
The IUPAC name of N,N,7-trimethyl-2-pentan-2-yloctan-1-amine (CID 170849400) is N,N,7-trimethyl-2-pentan-2-yloctan-1-amine.
What is the SMILES notation for N,N,7-trimethyl-2-pentan-2-yloctan-1-amine?
The canonical SMILES for N,N,7-trimethyl-2-pentan-2-yloctan-1-amine is CCCC(C)C(CCCCC(C)C)CN(C)C.
What is the InChIKey of N,N,7-trimethyl-2-pentan-2-yloctan-1-amine?
The InChIKey is QIBDVSRPQZTORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-7-10-15(4)16(13-17(5)6)12-9-8-11-14(2)3/h14-16H,7-13H2,1-6H3.
What are the key properties of N,N,7-trimethyl-2-pentan-2-yloctan-1-amine?
N,N,7-trimethyl-2-pentan-2-yloctan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7-trimethyl-2-pentan-2-yloctan-1-amine is sourced from PubChem (CID 170849400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).