N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine

C11H25N3 — CID 167520950

IUPACN'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine
SMILESCCNC1CC(C)(CCN(C)CN)C1
InChIInChI=1S/C11H25N3/c1-4-13-10-7-11(2,8-10)5-6-14(3)9-12/h10,13H,4-9,12H2,1-3H3
InChIKeyGEJVAMSPNNILBS-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.00
Rot. Bonds6

About N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine

N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine (PubChem CID 167520950) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine
PubChem CID167520950
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine
SMILESCCNC1CC(C)(CCN(C)CN)C1
InChIInChI=1S/C11H25N3/c1-4-13-10-7-11(2,8-10)5-6-14(3)9-12/h10,13H,4-9,12H2,1-3H3
InChIKeyGEJVAMSPNNILBS-UHFFFAOYSA-N
XLogP1.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine
CID 121358937
3-N-ethyl-1,5,5-trimethylcyclohexane-1,3-diamine
CID 67708166
N-ethyl-N-methyl-2-(1-methylcyclopropyl)ethanamine
CID 144539329
7-(aminomethyl)-N-ethyl-7-azaspiro[3.5]nonan-2-amine
CID 155582704
N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine
CID 134269759
3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine
CID 168891555
N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine
CID 116539412
ethyl 4-(ethylamino)-2,2,6,6-tetramethylpiperidine-1-carboxylate
CID 19090267
N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine
CID 170629603
ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine
CID 166487835
N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen
CID 171510554

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine (CID 167520950) is N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine is CCNC1CC(C)(CCN(C)CN)C1.
What is the InChIKey of N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine?
The InChIKey is GEJVAMSPNNILBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-13-10-7-11(2,8-10)5-6-14(3)9-12/h10,13H,4-9,12H2,1-3H3.
What are the key properties of N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine?
N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine has a molecular weight of 199.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 167520950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).