2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine

C13H29N — CID 137458750

IUPAC2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine
SMILESCCC(C)(C)CC(C)(C)NCC(C)C
InChIInChI=1S/C13H29N/c1-8-12(4,5)10-13(6,7)14-9-11(2)3/h11,14H,8-10H2,1-7H3
InChIKeyHSPKFAKQIHBNPM-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds6

About 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine

2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine (PubChem CID 137458750) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine
PubChem CID137458750
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine
SMILESCCC(C)(C)CC(C)(C)NCC(C)C
InChIInChI=1S/C13H29N/c1-8-12(4,5)10-13(6,7)14-9-11(2)3/h11,14H,8-10H2,1-7H3
InChIKeyHSPKFAKQIHBNPM-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine
CID 130728282
2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine
CID 126602658
4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal
CID 166885394
ethane;2,2,4-trimethyl-4-N-(2,4,4,6,6-pentamethyloctan-2-yl)pentane-1,4-diamine
CID 145086421
2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
CID 43731065
N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine
CID 129309764
3-fluoro-2,3,5,5-tetramethylheptane
CID 89233452
2,5,5-trimethyl-3-propan-2-ylheptan-3-ol
CID 156689537
2,4,4-trimethyl-N-propyloctan-2-amine
CID 166814463
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
2-methyl-2-(2-methylpropylamino)pentan-1-ol
CID 61054736

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine (CID 137458750) is 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine is CCC(C)(C)CC(C)(C)NCC(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine?
The InChIKey is HSPKFAKQIHBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-8-12(4,5)10-13(6,7)14-9-11(2)3/h11,14H,8-10H2,1-7H3.
What are the key properties of 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine?
2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine is sourced from PubChem (CID 137458750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).