2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine

C13H29N — CID 81015110

IUPAC2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCC(C)C(C)CC(C)C
InChIInChI=1S/C13H29N/c1-10(2)7-12(5)13(6)9-14-8-11(3)4/h10-14H,7-9H2,1-6H3
InChIKeyBKQPJZYYMQBOFI-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.55
Rot. Bonds7

About 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine

2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 81015110) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID81015110
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCC(C)C(C)CC(C)C
InChIInChI=1S/C13H29N/c1-10(2)7-12(5)13(6)9-14-8-11(3)4/h10-14H,7-9H2,1-6H3
InChIKeyBKQPJZYYMQBOFI-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 175939227
CID 175939227
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
3-N,2-dimethyl-3-N-(4-methylpentan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019594
2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine
CID 81016736
2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
CID 114210654
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 107889329
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 63498321
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
1-chloro-2,3,5-trimethylhexane
CID 130519679

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine (CID 81015110) is 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine is CC(C)CNCC(C)C(C)CC(C)C.
What is the InChIKey of 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is BKQPJZYYMQBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-10(2)7-12(5)13(6)9-14-8-11(3)4/h10-14H,7-9H2,1-6H3.
What are the key properties of 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine?
2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 81015110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).