butane;ethane;N-methylbutan-2-amine

C13H35N — CID 145323571

IUPACbutane;ethane;N-methylbutan-2-amine
SMILESCC.CC.CCC(C)NC.CCCC
InChIInChI=1S/C5H13N.C4H10.2C2H6/c1-4-5(2)6-3;1-3-4-2;2*1-2/h5-6H,4H2,1-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyGBMZEMQYMVVDAJ-UHFFFAOYSA-N
MW205.43 g/mol
LogP4.86
Rot. Bonds3

About butane;ethane;N-methylbutan-2-amine

butane;ethane;N-methylbutan-2-amine (PubChem CID 145323571) has the molecular formula C13H35N and a molecular weight of 205.43 g/mol. Its IUPAC name is butane;ethane;N-methylbutan-2-amine.

Molecular Properties

Compound Namebutane;ethane;N-methylbutan-2-amine
PubChem CID145323571
Molecular FormulaC13H35N
Molecular Weight205.43 g/mol
Exact Mass205.28
IUPAC Namebutane;ethane;N-methylbutan-2-amine
SMILESCC.CC.CCC(C)NC.CCCC
InChIInChI=1S/C5H13N.C4H10.2C2H6/c1-4-5(2)6-3;1-3-4-2;2*1-2/h5-6H,4H2,1-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyGBMZEMQYMVVDAJ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2S)-N-methylpentan-2-amine
CID 143603159
N-methylpentan-2-amine;hydrochloride
CID 42919600
butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane
CID 176918653
N-methyltetradecan-2-amine
CID 54073704
butane;ethane;methanol;2-methylbutane
CID 170758487
N-methyl-1-pentylsulfonylpropan-2-amine
CID 107758535
(butan-2-ylamino)methanol;ethane
CID 143420847
argon;butane;ethane;methane;2-methylbutane;propane
CID 157426988
4-N-methyl-1-N-octyl-1-N-pentadecylpentane-1,4-diamine
CID 170755203
4-ethyl-N-methyltridecan-2-amine
CID 155048996
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
N-butan-2-ylheptan-4-amine
CID 43190303

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-methylbutan-2-amine?
The IUPAC name of butane;ethane;N-methylbutan-2-amine (CID 145323571) is butane;ethane;N-methylbutan-2-amine.
What is the SMILES notation for butane;ethane;N-methylbutan-2-amine?
The canonical SMILES for butane;ethane;N-methylbutan-2-amine is CC.CC.CCC(C)NC.CCCC.
What is the InChIKey of butane;ethane;N-methylbutan-2-amine?
The InChIKey is GBMZEMQYMVVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C4H10.2C2H6/c1-4-5(2)6-3;1-3-4-2;2*1-2/h5-6H,4H2,1-3H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;N-methylbutan-2-amine?
butane;ethane;N-methylbutan-2-amine has a molecular weight of 205.43 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;N-methylbutan-2-amine is sourced from PubChem (CID 145323571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).