2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine

C16H35N — CID 91457682

IUPAC2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
SMILESCCC(C)(C)CCC(C)CNC(C)(CC)CC
InChIInChI=1S/C16H35N/c1-8-15(5,6)12-11-14(4)13-17-16(7,9-2)10-3/h14,17H,8-13H2,1-7H3
InChIKeyCBPAELHTIMQRTL-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.01
Rot. Bonds9

About 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine

2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine (PubChem CID 91457682) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
PubChem CID91457682
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
SMILESCCC(C)(C)CCC(C)CNC(C)(CC)CC
InChIInChI=1S/C16H35N/c1-8-15(5,6)12-11-14(4)13-17-16(7,9-2)10-3/h14,17H,8-13H2,1-7H3
InChIKeyCBPAELHTIMQRTL-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
CID 97358418
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
1,1-difluoro-4,4-dimethylhexane
CID 170227321
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
4,7,7,10-tetramethyltridecane
CID 123261465
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332
N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine
CID 139443800
3-ethyl-6,6-dimethyloctan-2-ol
CID 156689624
2,2,7,7-tetramethyl-4-propan-2-ylnonane
CID 123845621

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine?
The IUPAC name of 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine (CID 91457682) is 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine.
What is the SMILES notation for 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine?
The canonical SMILES for 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine is CCC(C)(C)CCC(C)CNC(C)(CC)CC.
What is the InChIKey of 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine?
The InChIKey is CBPAELHTIMQRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-8-15(5,6)12-11-14(4)13-17-16(7,9-2)10-3/h14,17H,8-13H2,1-7H3.
What are the key properties of 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine?
2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine is sourced from PubChem (CID 91457682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).