(5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C7H16N4 — CID 44571875

IUPAC(5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(C)CC[C@H]1CN=C(N)N1
InChIInChI=1S/C7H16N4/c1-11(2)4-3-6-5-9-7(8)10-6/h6H,3-5H2,1-2H3,(H3,8,9,10)/t6-/m0/s1
InChIKeyUTXVOWFTNVQRHS-LURJTMIESA-N
MW156.23 g/mol
LogP-0.78
Rot. Bonds3

About (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine

(5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 44571875) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID44571875
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name(5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(C)CC[C@H]1CN=C(N)N1
InChIInChI=1S/C7H16N4/c1-11(2)4-3-6-5-9-7(8)10-6/h6H,3-5H2,1-2H3,(H3,8,9,10)/t6-/m0/s1
InChIKeyUTXVOWFTNVQRHS-LURJTMIESA-N
XLogP-0.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 44571875) is (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine is CN(C)CC[C@H]1CN=C(N)N1.
What is the InChIKey of (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UTXVOWFTNVQRHS-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N4/c1-11(2)4-3-6-5-9-7(8)10-6/h6H,3-5H2,1-2H3,(H3,8,9,10)/t6-/m0/s1.
What are the key properties of (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
(5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 156.23 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 44571875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).