N-tert-butyl-3-methylhexan-3-amine

C11H25N — CID 123793327

IUPACN-tert-butyl-3-methylhexan-3-amine
SMILESCCCC(C)(CC)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-9-11(6,8-2)12-10(3,4)5/h12H,7-9H2,1-6H3
InChIKeyROKVWYLGOIJYDY-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.34
Rot. Bonds4

About N-tert-butyl-3-methylhexan-3-amine

N-tert-butyl-3-methylhexan-3-amine (PubChem CID 123793327) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-tert-butyl-3-methylhexan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methylhexan-3-amine
PubChem CID123793327
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-tert-butyl-3-methylhexan-3-amine
SMILESCCCC(C)(CC)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-9-11(6,8-2)12-10(3,4)5/h12H,7-9H2,1-6H3
InChIKeyROKVWYLGOIJYDY-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine
CID 89032081
4-methylheptan-4-ylhydrazine
CID 23030896
N,4-dimethylheptan-4-amine;ethane
CID 143105274
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
N-tert-butyl-2-methylpropan-2-amine;propyl-λ2-stannane
CID 175479879
N-tert-butyl-2-methylbutan-2-amine;ethane
CID 142129044
2-(tert-butylamino)-2-methylpropane-1,3-diol
CID 58959508
N-tert-butyl-3-ethyldodecan-3-amine
CID 151770171
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
N-(4-methylheptan-4-yl)formamide
CID 54483706
1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 89292350

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methylhexan-3-amine?
The IUPAC name of N-tert-butyl-3-methylhexan-3-amine (CID 123793327) is N-tert-butyl-3-methylhexan-3-amine.
What is the SMILES notation for N-tert-butyl-3-methylhexan-3-amine?
The canonical SMILES for N-tert-butyl-3-methylhexan-3-amine is CCCC(C)(CC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methylhexan-3-amine?
The InChIKey is ROKVWYLGOIJYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-9-11(6,8-2)12-10(3,4)5/h12H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-3-methylhexan-3-amine?
N-tert-butyl-3-methylhexan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methylhexan-3-amine is sourced from PubChem (CID 123793327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).