(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine

C10H19N5 — CID 176985380

IUPAC(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine
SMILESCC(C)n1cnc2c1CCN(C(N)N)C2
InChIInChI=1S/C10H19N5/c1-7(2)15-6-13-8-5-14(10(11)12)4-3-9(8)15/h6-7,10H,3-5,11-12H2,1-2H3
InChIKeySMYVWASGCVYRER-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.02
Rot. Bonds2

About (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine

(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine (PubChem CID 176985380) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine.

Molecular Properties

Compound Name(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine
PubChem CID176985380
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine
SMILESCC(C)n1cnc2c1CCN(C(N)N)C2
InChIInChI=1S/C10H19N5/c1-7(2)15-6-13-8-5-14(10(11)12)4-3-9(8)15/h6-7,10H,3-5,11-12H2,1-2H3
InChIKeySMYVWASGCVYRER-UHFFFAOYSA-N
XLogP0.02
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine?
The IUPAC name of (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine (CID 176985380) is (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine.
What is the SMILES notation for (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine?
The canonical SMILES for (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine is CC(C)n1cnc2c1CCN(C(N)N)C2.
What is the InChIKey of (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine?
The InChIKey is SMYVWASGCVYRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-7(2)15-6-13-8-5-14(10(11)12)4-3-9(8)15/h6-7,10H,3-5,11-12H2,1-2H3.
What are the key properties of (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine?
(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine has a molecular weight of 209.30 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanediamine is sourced from PubChem (CID 176985380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).