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

C16H30N4 — CID 82892118

IUPACN-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CCN1CCN(C)CC1
InChIInChI=1S/C16H30N4/c1-4-7-17-15(2)16-6-5-8-20(16)14-13-19-11-9-18(3)10-12-19/h5-6,8,15,17H,4,7,9-14H2,1-3H3
InChIKeyUFVVOFSYPJLABN-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.80
Rot. Bonds7

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

N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 82892118) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID82892118
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CCN1CCN(C)CC1
InChIInChI=1S/C16H30N4/c1-4-7-17-15(2)16-6-5-8-20(16)14-13-19-11-9-18(3)10-12-19/h5-6,8,15,17H,4,7,9-14H2,1-3H3
InChIKeyUFVVOFSYPJLABN-UHFFFAOYSA-N
XLogP1.80
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine (CID 82892118) is N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1CCN1CCN(C)CC1.
What is the InChIKey of N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is UFVVOFSYPJLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-7-17-15(2)16-6-5-8-20(16)14-13-19-11-9-18(3)10-12-19/h5-6,8,15,17H,4,7,9-14H2,1-3H3.
What are the key properties of N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 82892118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).