methane;2-methylbutane;N-methyl-N-propylpropan-1-amine

C13H33N — CID 143703435

IUPACmethane;2-methylbutane;N-methyl-N-propylpropan-1-amine
SMILESC.CCC(C)C.CCCN(C)CCC
InChIInChI=1S/C7H17N.C5H12.CH4/c1-4-6-8(3)7-5-2;1-4-5(2)3;/h4-7H2,1-3H3;5H,4H2,1-3H3;1H4
InChIKeySWZWCDUAZWYNEK-UHFFFAOYSA-N
MW203.41 g/mol
LogP4.43
Rot. Bonds5

About methane;2-methylbutane;N-methyl-N-propylpropan-1-amine

methane;2-methylbutane;N-methyl-N-propylpropan-1-amine (PubChem CID 143703435) has the molecular formula C13H33N and a molecular weight of 203.41 g/mol. Its IUPAC name is methane;2-methylbutane;N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Namemethane;2-methylbutane;N-methyl-N-propylpropan-1-amine
PubChem CID143703435
Molecular FormulaC13H33N
Molecular Weight203.41 g/mol
Exact Mass203.26
IUPAC Namemethane;2-methylbutane;N-methyl-N-propylpropan-1-amine
SMILESC.CCC(C)C.CCCN(C)CCC
InChIInChI=1S/C7H17N.C5H12.CH4/c1-4-6-8(3)7-5-2;1-4-5(2)3;/h4-7H2,1-3H3;5H,4H2,1-3H3;1H4
InChIKeySWZWCDUAZWYNEK-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
N-methyl-N-propylpropan-1-amine
CID 136915966
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
2-[methyl(propyl)amino]ethylazanium
CID 154557311

Frequently Asked Questions

What is the IUPAC name of methane;2-methylbutane;N-methyl-N-propylpropan-1-amine?
The IUPAC name of methane;2-methylbutane;N-methyl-N-propylpropan-1-amine (CID 143703435) is methane;2-methylbutane;N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for methane;2-methylbutane;N-methyl-N-propylpropan-1-amine?
The canonical SMILES for methane;2-methylbutane;N-methyl-N-propylpropan-1-amine is C.CCC(C)C.CCCN(C)CCC.
What is the InChIKey of methane;2-methylbutane;N-methyl-N-propylpropan-1-amine?
The InChIKey is SWZWCDUAZWYNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C5H12.CH4/c1-4-6-8(3)7-5-2;1-4-5(2)3;/h4-7H2,1-3H3;5H,4H2,1-3H3;1H4.
What are the key properties of methane;2-methylbutane;N-methyl-N-propylpropan-1-amine?
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine has a molecular weight of 203.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylbutane;N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 143703435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).