6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine

C16H35N3 — CID 106799849

IUPAC6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCN1CCN(CC)C(C)C1
InChIInChI=1S/C16H35N3/c1-5-10-17-16(6-2)9-8-11-18-12-13-19(7-3)15(4)14-18/h15-17H,5-14H2,1-4H3
InChIKeyUUQPOLKLABFOCH-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds9

About 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine

6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine (PubChem CID 106799849) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
PubChem CID106799849
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCN1CCN(CC)C(C)C1
InChIInChI=1S/C16H35N3/c1-5-10-17-16(6-2)9-8-11-18-12-13-19(7-3)15(4)14-18/h15-17H,5-14H2,1-4H3
InChIKeyUUQPOLKLABFOCH-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
CID 55216953
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine
CID 106799813
6-(2-methylpiperidin-1-yl)-N-propylhexan-3-amine
CID 106799179
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63619488
3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
CID 63635414
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79566033
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile
CID 63635579
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine?
The IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine (CID 106799849) is 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine?
The canonical SMILES for 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine is CCCNC(CC)CCCN1CCN(CC)C(C)C1.
What is the InChIKey of 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine?
The InChIKey is UUQPOLKLABFOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-10-17-16(6-2)9-8-11-18-12-13-19(7-3)15(4)14-18/h15-17H,5-14H2,1-4H3.
What are the key properties of 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine?
6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 106799849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).