N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine

C19H41N5O — CID 129169008

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine
SMILESCC(C)NCCN1CCOC(CC(C)NCCN2CCN(C)CC2)C1
InChIInChI=1S/C19H41N5O/c1-17(2)20-5-8-24-13-14-25-19(16-24)15-18(3)21-6-7-23-11-9-22(4)10-12-23/h17-21H,5-16H2,1-4H3
InChIKeySEGUORMMBYVCCG-UHFFFAOYSA-N
MW355.57 g/mol
LogP0.30
Rot. Bonds10

About N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine

N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine (PubChem CID 129169008) has the molecular formula C19H41N5O and a molecular weight of 355.57 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine
PubChem CID129169008
Molecular FormulaC19H41N5O
Molecular Weight355.57 g/mol
Exact Mass355.33
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine
SMILESCC(C)NCCN1CCOC(CC(C)NCCN2CCN(C)CC2)C1
InChIInChI=1S/C19H41N5O/c1-17(2)20-5-8-24-13-14-25-19(16-24)15-18(3)21-6-7-23-11-9-22(4)10-12-23/h17-21H,5-16H2,1-4H3
InChIKeySEGUORMMBYVCCG-UHFFFAOYSA-N
XLogP0.30
TPSA43.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine (CID 129169008) is N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine is CC(C)NCCN1CCOC(CC(C)NCCN2CCN(C)CC2)C1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine?
The InChIKey is SEGUORMMBYVCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N5O/c1-17(2)20-5-8-24-13-14-25-19(16-24)15-18(3)21-6-7-23-11-9-22(4)10-12-23/h17-21H,5-16H2,1-4H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine?
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine has a molecular weight of 355.57 g/mol, XLogP of 0.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-[4-[2-(propan-2-ylamino)ethyl]morpholin-2-yl]propan-2-amine is sourced from PubChem (CID 129169008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).