N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

C13H29N3 — CID 63609305

IUPACN-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCN1CCN(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-12(2)10-14-6-5-7-16-9-8-15(4)13(3)11-16/h12-14H,5-11H2,1-4H3
InChIKeyKGTZFPPQBGYRPN-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 63609305) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID63609305
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCN1CCN(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-12(2)10-14-6-5-7-16-9-8-15(4)13(3)11-16/h12-14H,5-11H2,1-4H3
InChIKeyKGTZFPPQBGYRPN-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 63619609
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63635481
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
CID 102968223
4-(4-chlorobutyl)-1,2-dimethylpiperazine
CID 63635546
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
1-cyclopropyl-N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]ethanamine
CID 63621690
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (CID 63609305) is N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCCCN1CCN(C)C(C)C1.
What is the InChIKey of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is KGTZFPPQBGYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)10-14-6-5-7-16-9-8-15(4)13(3)11-16/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63609305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).