N,4,4,7,7-pentamethyloctan-2-amine

C13H29N — CID 64716367

IUPACN,4,4,7,7-pentamethyloctan-2-amine
SMILESCNC(C)CC(C)(C)CCC(C)(C)C
InChIInChI=1S/C13H29N/c1-11(14-7)10-13(5,6)9-8-12(2,3)4/h11,14H,8-10H2,1-7H3
InChIKeyHSGBKWGDQXDCOI-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds5

About N,4,4,7,7-pentamethyloctan-2-amine

N,4,4,7,7-pentamethyloctan-2-amine (PubChem CID 64716367) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,4,4,7,7-pentamethyloctan-2-amine.

Molecular Properties

Compound NameN,4,4,7,7-pentamethyloctan-2-amine
PubChem CID64716367
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,4,4,7,7-pentamethyloctan-2-amine
SMILESCNC(C)CC(C)(C)CCC(C)(C)C
InChIInChI=1S/C13H29N/c1-11(14-7)10-13(5,6)9-8-12(2,3)4/h11,14H,8-10H2,1-7H3
InChIKeyHSGBKWGDQXDCOI-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
CID 106732362
4,4,7,7-tetramethyloctan-2-ol
CID 64716189
4-iodo-N,4-dimethylpentan-2-amine
CID 88918834
(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine
CID 98041220
4,4-difluoro-N,5,5-trimethylhexan-2-amine
CID 105438278
N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
CID 64718072
5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine
CID 64715317
4,4,8,8-tetramethylnonan-2-ol
CID 122384584
5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
CID 64715737
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292

Frequently Asked Questions

What is the IUPAC name of N,4,4,7,7-pentamethyloctan-2-amine?
The IUPAC name of N,4,4,7,7-pentamethyloctan-2-amine (CID 64716367) is N,4,4,7,7-pentamethyloctan-2-amine.
What is the SMILES notation for N,4,4,7,7-pentamethyloctan-2-amine?
The canonical SMILES for N,4,4,7,7-pentamethyloctan-2-amine is CNC(C)CC(C)(C)CCC(C)(C)C.
What is the InChIKey of N,4,4,7,7-pentamethyloctan-2-amine?
The InChIKey is HSGBKWGDQXDCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-11(14-7)10-13(5,6)9-8-12(2,3)4/h11,14H,8-10H2,1-7H3.
What are the key properties of N,4,4,7,7-pentamethyloctan-2-amine?
N,4,4,7,7-pentamethyloctan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4,7,7-pentamethyloctan-2-amine is sourced from PubChem (CID 64716367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).