trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine

C11H25N3 — CID 166983515

IUPACtrans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine
SMILESCCN(CC)C[C@]1(N)CCC[C@@]1(C)N
InChIInChI=1S/C11H25N3/c1-4-14(5-2)9-11(13)8-6-7-10(11,3)12/h4-9,12-13H2,1-3H3/t10-,11-/m1/s1
InChIKeySHWMAMQVLUMPAD-GHMZBOCLSA-N
MW199.34 g/mol
LogP0.93
Rot. Bonds4

About trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine

trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine (PubChem CID 166983515) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine
PubChem CID166983515
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Nametrans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine
SMILESCCN(CC)C[C@]1(N)CCC[C@@]1(C)N
InChIInChI=1S/C11H25N3/c1-4-14(5-2)9-11(13)8-6-7-10(11,3)12/h4-9,12-13H2,1-3H3/t10-,11-/m1/s1
InChIKeySHWMAMQVLUMPAD-GHMZBOCLSA-N
XLogP0.93
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine (CID 166983515) is trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine is CCN(CC)C[C@]1(N)CCC[C@@]1(C)N.
What is the InChIKey of trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine?
The InChIKey is SHWMAMQVLUMPAD-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-14(5-2)9-11(13)8-6-7-10(11,3)12/h4-9,12-13H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine?
trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-(diethylaminomethyl)-2-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 166983515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).