ethane;methylcyclobutane;N-methylpentan-1-amine

C13H31N — CID 166078037

IUPACethane;methylcyclobutane;N-methylpentan-1-amine
SMILESCC.CC1CCC1.CCCCCNC
InChIInChI=1S/C6H15N.C5H10.C2H6/c1-3-4-5-6-7-2;1-5-3-2-4-5;1-2/h7H,3-6H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyFNWRFZCKNFRHPX-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.23
Rot. Bonds4

About ethane;methylcyclobutane;N-methylpentan-1-amine

ethane;methylcyclobutane;N-methylpentan-1-amine (PubChem CID 166078037) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is ethane;methylcyclobutane;N-methylpentan-1-amine.

Molecular Properties

Compound Nameethane;methylcyclobutane;N-methylpentan-1-amine
PubChem CID166078037
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Nameethane;methylcyclobutane;N-methylpentan-1-amine
SMILESCC.CC1CCC1.CCCCCNC
InChIInChI=1S/C6H15N.C5H10.C2H6/c1-3-4-5-6-7-2;1-5-3-2-4-5;1-2/h7H,3-6H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyFNWRFZCKNFRHPX-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyltriacontan-1-amine
CID 19840895
heptane;methoxymethane;methylcyclobutane
CID 168881474
ethane;tris(methylcyclohexane);octane
CID 142912940
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
ethane;N-methylbutan-1-amine;propane
CID 142092371
N-methylbutan-1-amine
CID 8068
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840
N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclobutane;N-methylpentan-1-amine?
The IUPAC name of ethane;methylcyclobutane;N-methylpentan-1-amine (CID 166078037) is ethane;methylcyclobutane;N-methylpentan-1-amine.
What is the SMILES notation for ethane;methylcyclobutane;N-methylpentan-1-amine?
The canonical SMILES for ethane;methylcyclobutane;N-methylpentan-1-amine is CC.CC1CCC1.CCCCCNC.
What is the InChIKey of ethane;methylcyclobutane;N-methylpentan-1-amine?
The InChIKey is FNWRFZCKNFRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H10.C2H6/c1-3-4-5-6-7-2;1-5-3-2-4-5;1-2/h7H,3-6H2,1-2H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;methylcyclobutane;N-methylpentan-1-amine?
ethane;methylcyclobutane;N-methylpentan-1-amine has a molecular weight of 201.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclobutane;N-methylpentan-1-amine is sourced from PubChem (CID 166078037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).