N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine

C10H23N3 — CID 95436399

IUPACN,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
SMILESC[C@@H]1CN(CCCN(C)C)CCN1
InChIInChI=1S/C10H23N3/c1-10-9-13(8-5-11-10)7-4-6-12(2)3/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyLSTYOOKEEBQGOX-SNVBAGLBSA-N
MW185.31 g/mol
LogP0.23
Rot. Bonds4

About N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine

N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine (PubChem CID 95436399) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
PubChem CID95436399
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
SMILESC[C@@H]1CN(CCCN(C)C)CCN1
InChIInChI=1S/C10H23N3/c1-10-9-13(8-5-11-10)7-4-6-12(2)3/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyLSTYOOKEEBQGOX-SNVBAGLBSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine (CID 95436399) is N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine is C[C@@H]1CN(CCCN(C)C)CCN1.
What is the InChIKey of N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine?
The InChIKey is LSTYOOKEEBQGOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23N3/c1-10-9-13(8-5-11-10)7-4-6-12(2)3/h10-11H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine?
N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine is sourced from PubChem (CID 95436399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).