5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine

C15H26ClN5 — CID 105243865

IUPAC5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine
SMILESCN(C)C1(C(NN)c2cc(Cl)cnc2N)CCCCCC1
InChIInChI=1S/C15H26ClN5/c1-21(2)15(7-5-3-4-6-8-15)13(20-18)12-9-11(16)10-19-14(12)17/h9-10,13,20H,3-8,18H2,1-2H3,(H2,17,19)
InChIKeySMGOHGDJVGRFHZ-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine

5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine (PubChem CID 105243865) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine
PubChem CID105243865
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine
SMILESCN(C)C1(C(NN)c2cc(Cl)cnc2N)CCCCCC1
InChIInChI=1S/C15H26ClN5/c1-21(2)15(7-5-3-4-6-8-15)13(20-18)12-9-11(16)10-19-14(12)17/h9-10,13,20H,3-8,18H2,1-2H3,(H2,17,19)
InChIKeySMGOHGDJVGRFHZ-UHFFFAOYSA-N
XLogP2.48
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine (CID 105243865) is 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine is CN(C)C1(C(NN)c2cc(Cl)cnc2N)CCCCCC1.
What is the InChIKey of 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine?
The InChIKey is SMGOHGDJVGRFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-21(2)15(7-5-3-4-6-8-15)13(20-18)12-9-11(16)10-19-14(12)17/h9-10,13,20H,3-8,18H2,1-2H3,(H2,17,19).
What are the key properties of 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine?
5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine has a molecular weight of 311.86 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine is sourced from PubChem (CID 105243865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).