N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine

C14H24N4 — CID 164639228

IUPACN,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
SMILESCC(C)c1ccc(N2CC[C@H](CN(C)C)C2)nn1
InChIInChI=1S/C14H24N4/c1-11(2)13-5-6-14(16-15-13)18-8-7-12(10-18)9-17(3)4/h5-6,11-12H,7-10H2,1-4H3/t12-/m1/s1
InChIKeyDXLIPHNHNAGBDU-GFCCVEGCSA-N
MW248.37 g/mol
LogP1.99
Rot. Bonds4

About N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine

N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 164639228) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID164639228
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
SMILESCC(C)c1ccc(N2CC[C@H](CN(C)C)C2)nn1
InChIInChI=1S/C14H24N4/c1-11(2)13-5-6-14(16-15-13)18-8-7-12(10-18)9-17(3)4/h5-6,11-12H,7-10H2,1-4H3/t12-/m1/s1
InChIKeyDXLIPHNHNAGBDU-GFCCVEGCSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine (CID 164639228) is N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine is CC(C)c1ccc(N2CC[C@H](CN(C)C)C2)nn1.
What is the InChIKey of N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is DXLIPHNHNAGBDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)13-5-6-14(16-15-13)18-8-7-12(10-18)9-17(3)4/h5-6,11-12H,7-10H2,1-4H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 164639228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).