N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine

C12H27N3 — CID 71018597

IUPACN,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCN(CC)CCCN1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-4-14(5-2)7-6-8-15-11-9-13(3)10-12-15/h4-12H2,1-3H3
InChIKeyWVCUAOMFTNIJBF-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.97
Rot. Bonds6

About N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine

N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 71018597) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID71018597
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCN(CC)CCCN1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-4-14(5-2)7-6-8-15-11-9-13(3)10-12-15/h4-12H2,1-3H3
InChIKeyWVCUAOMFTNIJBF-UHFFFAOYSA-N
XLogP0.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 71018597) is N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine is CCN(CC)CCCN1CCN(C)CC1.
What is the InChIKey of N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is WVCUAOMFTNIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-14(5-2)7-6-8-15-11-9-13(3)10-12-15/h4-12H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 71018597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).