3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane

C10H25N — CID 161005909

IUPAC3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
SMILESC.CC(C)NCCC(C)(C)C
InChIInChI=1S/C9H21N.CH4/c1-8(2)10-7-6-9(3,4)5;/h8,10H,6-7H2,1-5H3;1H4
InChIKeyTWMNKOLSVVSWRZ-UHFFFAOYSA-N
MW159.32 g/mol
LogP3.06
Rot. Bonds3

About 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane

3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane (PubChem CID 161005909) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane.

Molecular Properties

Compound Name3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
PubChem CID161005909
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC Name3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
SMILESC.CC(C)NCCC(C)(C)C
InChIInChI=1S/C9H21N.CH4/c1-8(2)10-7-6-9(3,4)5;/h8,10H,6-7H2,1-5H3;1H4
InChIKeyTWMNKOLSVVSWRZ-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580
4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine
CID 159440730
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine
CID 83187023
2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 62530891
methyl (2S)-2-(3,3-dimethylbutylamino)propanoate
CID 54129426
3,3-dimethyl-N-propan-2-ylhept-6-en-1-amine
CID 81022245
N-[2-[5-(3,3-dimethylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 114212947
N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 61166306
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane?
The IUPAC name of 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane (CID 161005909) is 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane.
What is the SMILES notation for 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane?
The canonical SMILES for 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane is C.CC(C)NCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane?
The InChIKey is TWMNKOLSVVSWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.CH4/c1-8(2)10-7-6-9(3,4)5;/h8,10H,6-7H2,1-5H3;1H4.
What are the key properties of 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane?
3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane has a molecular weight of 159.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane is sourced from PubChem (CID 161005909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).