N-tert-butyl-N-methylbutan-1-amine;2-methylpropane

C13H31N — CID 158127405

IUPACN-tert-butyl-N-methylbutan-1-amine;2-methylpropane
SMILESCC(C)C.CCCCN(C)C(C)(C)C
InChIInChI=1S/C9H21N.C4H10/c1-6-7-8-10(5)9(2,3)4;1-4(2)3/h6-8H2,1-5H3;4H,1-3H3
InChIKeyFSIURMTVDQLIQL-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.18
Rot. Bonds3

About N-tert-butyl-N-methylbutan-1-amine;2-methylpropane

N-tert-butyl-N-methylbutan-1-amine;2-methylpropane (PubChem CID 158127405) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is N-tert-butyl-N-methylbutan-1-amine;2-methylpropane.

Molecular Properties

Compound NameN-tert-butyl-N-methylbutan-1-amine;2-methylpropane
PubChem CID158127405
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC NameN-tert-butyl-N-methylbutan-1-amine;2-methylpropane
SMILESCC(C)C.CCCCN(C)C(C)(C)C
InChIInChI=1S/C9H21N.C4H10/c1-6-7-8-10(5)9(2,3)4;1-4(2)3/h6-8H2,1-5H3;4H,1-3H3
InChIKeyFSIURMTVDQLIQL-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 129302510
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
CID 21049167
N-tert-butyl-N,7,7-trimethyloctan-1-amine
CID 176737662
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine
CID 176560194
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride
CID 173001093
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid
CID 114990864

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methylbutan-1-amine;2-methylpropane?
The IUPAC name of N-tert-butyl-N-methylbutan-1-amine;2-methylpropane (CID 158127405) is N-tert-butyl-N-methylbutan-1-amine;2-methylpropane.
What is the SMILES notation for N-tert-butyl-N-methylbutan-1-amine;2-methylpropane?
The canonical SMILES for N-tert-butyl-N-methylbutan-1-amine;2-methylpropane is CC(C)C.CCCCN(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methylbutan-1-amine;2-methylpropane?
The InChIKey is FSIURMTVDQLIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C4H10/c1-6-7-8-10(5)9(2,3)4;1-4(2)3/h6-8H2,1-5H3;4H,1-3H3.
What are the key properties of N-tert-butyl-N-methylbutan-1-amine;2-methylpropane?
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane has a molecular weight of 201.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methylbutan-1-amine;2-methylpropane is sourced from PubChem (CID 158127405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).