N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene

C13H31N — CID 178172448

IUPACN-ethyl-N-propylbutan-1-amine;methane;prop-1-ene
SMILESC.C=CC.CCCCN(CC)CCC
InChIInChI=1S/C9H21N.C3H6.CH4/c1-4-7-9-10(6-3)8-5-2;1-3-2;/h4-9H2,1-3H3;3H,1H2,2H3;1H4
InChIKeyFWHWZOHASVJINO-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.35
Rot. Bonds6

About N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene

N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene (PubChem CID 178172448) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene.

Molecular Properties

Compound NameN-ethyl-N-propylbutan-1-amine;methane;prop-1-ene
PubChem CID178172448
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC NameN-ethyl-N-propylbutan-1-amine;methane;prop-1-ene
SMILESC.C=CC.CCCCN(CC)CCC
InChIInChI=1S/C9H21N.C3H6.CH4/c1-4-7-9-10(6-3)8-5-2;1-3-2;/h4-9H2,1-3H3;3H,1H2,2H3;1H4
InChIKeyFWHWZOHASVJINO-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-ethyl-N-propyldecan-1-amine
CID 56933807
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N-ethyl-N-pent-4-enylpentan-1-amine
CID 154960176
N,N-diethylpropan-1-amine;methane
CID 144711865
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene?
The IUPAC name of N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene (CID 178172448) is N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene.
What is the SMILES notation for N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene?
The canonical SMILES for N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene is C.C=CC.CCCCN(CC)CCC.
What is the InChIKey of N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene?
The InChIKey is FWHWZOHASVJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C3H6.CH4/c1-4-7-9-10(6-3)8-5-2;1-3-2;/h4-9H2,1-3H3;3H,1H2,2H3;1H4.
What are the key properties of N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene?
N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene has a molecular weight of 201.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene is sourced from PubChem (CID 178172448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).